S100A4

Reference Set (30 Compounds)

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 ZINC000003917708

ZINC000003917708 (search)

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H](N(C)C)[C@@H](O)[C@H](C)O1 ZINC000254015207

ZINC000254015207 (search)

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@@H](N)[C@@H](O)[C@@H](C)O1 ZINC000011592928

ZINC000011592928 (search)

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](N(C)C)[C@H](O)[C@@H](C)O1 ZINC000095926482

ZINC000095926482 (search)

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 ZINC000003918087

ZINC000003918087 (search)

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H](O)[C@H](O)[C@H](C)O1 ZINC000255996030

ZINC000255996030 (search)

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=NO)C[C@@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1 ZINC000256431872

ZINC000256431872 (search)

CC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O ZINC000008034968

ZINC000008034968 (search)

CCOC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3nonc23)C1 ZINC000004698460

ZINC000004698460 (search)

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=NNC(=O)c1ccc(Cl)c(Cl)c1)C[C@@H]3O[C@@H]1C[C@H](N)[C@@H](O)[C@H](C)O1 ZINC000254013094

ZINC000254013094 (search)

$CN1/C(=C\C=C2/SC(=S)NC2=O)C(C)(C)c2ccccc21 ZINC000004579627$

ZINC000004579627 (search)

O=C1C(N2CCOCC2)=Cc2cccc3cccc1c23 ZINC000001725140

ZINC000001725140 (search)

CCN(CC)c1ccc(/C=C/c2ccc3ccc(OC)cc3[n+]2CC)cc1 ZINC000004167195

ZINC000004167195 (search)

O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000008737892

ZINC000008737892 (search)

CN1C(=O)N[C@H](c2ccccc2[N+](=O)[O-])C2=C1CCCC2=O ZINC000000067234

ZINC000000067234 (search)

Cn1c(=O)cc2c3c(c(N4CCCCC4)ccc31)C(=O)c1ccccc1-2 ZINC000002348208

ZINC000002348208 (search)

Cc1cc2cc(CNC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1C ZINC000004061609

ZINC000004061609 (search)

C[C@@H]1N(C)c2cc(NC(=O)c3ccco3)ccc2C1(C)C ZINC000003190615

ZINC000003190615 (search)

CC1(C)c2ccccc2N2CC(=O)N(CC(N)=O)[C@@]21C ZINC000004302017

ZINC000004302017 (search)

Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3cn(C)nc3C)C3=C2CC(C)(C)CC3=O)cc1 ZINC000000872096

ZINC000000872096 (search)

CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1 ZINC000005180959

ZINC000005180959 (search)

COc1ccc([N+](=O)[O-])cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000002940552

ZINC000002940552 (search)

O=C1C=C(N2CCOCC2)c2cccc3cccc1c23 ZINC000001744972

ZINC000001744972 (search)

CC[C@@H](CNc1cc(OC)cc2cccnc12)NC1CCCCC1 ZINC000001591915

ZINC000001591915 (search)

Cc1cc2ccccc2n1CCNC(=O)c1ccc(Br)o1 ZINC000000250353

ZINC000000250353 (search)

CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1 ZINC000009191971

ZINC000009191971 (search)

Cc1cc2ccccc2n1CCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000004801049

ZINC000004801049 (search)

Cc1cccc(-c2cc(N3CCCN(C)CC3)n3nccc3n2)c1 ZINC000061926035

ZINC000061926035 (search)

COc1ccc2c3c(cccc13)C(=O)CC2 ZINC000000068718

ZINC000000068718 (search)

O=C(CCc1ccccc1Cl)N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000020450789

ZINC000020450789 (search)