CYP51

Reference Set (62 Compounds)

CC1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)CC1 ZINC000006722236

ZINC000006722236 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(-c2cccc(F)c2)cc1F ZINC000095920897

ZINC000095920897 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(-c2ccccc2)cc1 ZINC000096929561

ZINC000096929561 (search)

O=C(N[C@@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1ccncc1)C1CCCCC1 ZINC000096929562

ZINC000096929562 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(-c2ccc(F)c(F)c2)cc1F ZINC000096930104

ZINC000096930104 (search)

COc1ccc(-c2ccc(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)Nc3ccncc3)c(F)c2)cc1F ZINC000096930105

ZINC000096930105 (search)

N#Cc1cccc(-c2ccc(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)Nc3ccncc3)c(F)c2)c1 ZINC000096930106

ZINC000096930106 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(-c2ccc(OCc3ccccc3)c(F)c2)cc1F ZINC000096930107

ZINC000096930107 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(-c2ccc(O)c(F)c2)cc1F ZINC000096930108

ZINC000096930108 (search)

Nc1ccc(-c2ccc(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)Nc3ccncc3)c(F)c2)cc1 ZINC000096930109

ZINC000096930109 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(C#Cc2ccccc2)cc1F ZINC000096930110

ZINC000096930110 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(/C=C/c2ccc(Cl)cc2)cc1F ZINC000096930111

ZINC000096930111 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(Nc2ccccc2)cc1F ZINC000096930112

ZINC000096930112 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(N2CCOCC2)cc1F ZINC000096930113

ZINC000096930113 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1F ZINC000096930114

ZINC000096930114 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(N2CCNCC2)cc1F ZINC000096930115

ZINC000096930115 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1cccc(-c2ccccc2)c1 ZINC000096930116

ZINC000096930116 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(-c2ccccc2)cc1F ZINC000096930118

ZINC000096930118 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(-c2ccc(F)cc2)cc1F ZINC000096930119

ZINC000096930119 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(-c2ccccc2F)cc1F ZINC000096930120

ZINC000096930120 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(-c2cc(F)cc(F)c2)cc1F ZINC000096930121

ZINC000096930121 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(-c2cc(F)ccc2F)cc1F ZINC000096931524

ZINC000096931524 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000096931526

ZINC000096931526 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(-c2cccc(Cl)c2)cc1F ZINC000096931528

ZINC000096931528 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(-c2ccccc2Cl)cc1F ZINC000096931530

ZINC000096931530 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1cccc(F)c1 ZINC000096931532

ZINC000096931532 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1cccc(Oc2ccccc2)c1 ZINC000096931534

ZINC000096931534 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(C(F)(F)F)cc1 ZINC000096931536

ZINC000096931536 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(F)cc1F ZINC000096931543

ZINC000096931543 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc2ccccc2c1 ZINC000096931549

ZINC000096931549 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc2ccccc2c1F ZINC000096931550

ZINC000096931550 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc2cc(F)ccc2c1 ZINC000096931552

ZINC000096931552 (search)

O=C(N[C@@H](Cc1csc2ccccc12)C(=O)Nc1ccncc1)C1CCCCC1 ZINC000096931555

ZINC000096931555 (search)

Cn1cc(C[C@H](NC(=O)C2CCCCC2)C(=O)Nc2ccncc2)c2ccccc21 ZINC000096931559

ZINC000096931559 (search)

O=C(Cc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 ZINC000096931564

ZINC000096931564 (search)

O=C(CCc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 ZINC000096931566

ZINC000096931566 (search)

O=C(CCCc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 ZINC000096931955

ZINC000096931955 (search)

O=C(CCCc1ccc(F)cc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 ZINC000096931961

ZINC000096931961 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccccc1 ZINC000096931963

ZINC000096931963 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccccc1F ZINC000096931965

ZINC000096931965 (search)

O=C(N[C@@H](Cn1ccnc1)c1ccc(-c2ccc(F)cc2)cc1F)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000098209524

ZINC000098209524 (search)

O=C(N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000058655680

ZINC000058655680 (search)

COc1ccc(CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)cc1 ZINC000096931957

ZINC000096931957 (search)

O=C(CCc1ccc(C(F)(F)F)cc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 ZINC000096931959

ZINC000096931959 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(Br)cc1F ZINC000096931547

ZINC000096931547 (search)

COc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)cc1 ZINC000096931538

ZINC000096931538 (search)

CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O ZINC000003938482

ZINC000003938482 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000096930117

ZINC000096930117 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc2cc(Br)ccc2c1 ZINC000096931553

ZINC000096931553 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1cc(Br)ccc1F ZINC000096931545

ZINC000096931545 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccccc1Cl ZINC000060796210

ZINC000060796210 (search)

O=C(N[C@@H](Cc1cccc2ccccc12)C(=O)Nc1ccncc1)C1CCCCC1 ZINC000096931557

ZINC000096931557 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1cc(F)ccc1F ZINC000096931541

ZINC000096931541 (search)

Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)S[C@@H](C)C(=O)N2 ZINC000006678735

ZINC000006678735 (search)

O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)C1CCCCC1 ZINC000096931969

ZINC000096931969 (search)

O=C(N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)Nc1ccncc1)C1CCCCC1 ZINC000096931560

ZINC000096931560 (search)

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)C1CCC(F)(F)CC1 ZINC000096931562

ZINC000096931562 (search)

OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000000004009

ZINC000000004009 (search)

Nc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(Cl)c(-c2ccccc2)c1 ZINC000040974066

ZINC000040974066 (search)

Nc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(-c2nc3ccccc3s2)c(-c2ccccc2)c1 ZINC000043208281

ZINC000043208281 (search)

CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccncc1 ZINC000003895666

ZINC000003895666 (search)

CC1CCC(C(=O)N[C@H](C(=O)Nc2ccncc2)C(C)C)CC1 ZINC000000248160

ZINC000000248160 (search)