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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03370286

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.71
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.74
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.82
HFTHYDROXYFLUTAMIDEA2AX60.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.77
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.77
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.78
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.74
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.74
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.74
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.74
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.7
SN81,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-
4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM
A,B1ZPH0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.74
XYD2,5-DIMETHYLANILINEA1L4L0.74
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.72
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
3AB3-aminobenzamideA,B,C,D3GOY0.7
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1TV50.74
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1D3H0.74
744(3S)-N-(5-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7N0.74
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.7
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.92
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.72
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.81
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.76
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.74
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.74
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.74
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.74
PRY2-PROPYL-ANILINEA1OWY0.75
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.72
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.72
BSU1,3-DIPHENYLUREAA3E850.71
BSU1,3-DIPHENYLUREAA2ZJF0.71
34A3,4-DIMETHYLANILINEA1L4K0.72
468(3S)-N-(3-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7P0.74
NYLN-ALLYL-ANILINEA1OVK0.71
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.74
221(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-
2-CYANO-3-THIOXOPROPANAMIDE
A,B2IJN0.73
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.72
H166-CHLORO-4-(CYCLOHEXYLSULFANYL)-
3-PROPYLQUINOLIN-2(1H)-ONE
A1TKZ0.73
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.76
H186-CHLORO-4-(CYCLOHEXYLSULFINYL)-
3-PROPYLQUINOLIN-2(1H)-ONE
A1TL10.71
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.74
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.71
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.71
CBLCHLORAMBUCILA,B3CSJ0.71
IDMINDOLINEA,B3CEP0.74
IDMINDOLINEA1AEK0.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.72
ISNISATINA,B1OJA0.71
ISNISATINA,B2BK50.71
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.7
1MRN-METHYLANILINEX2OTZ0.71
TSNTRICHOSTATIN AA,B1T640.7
TSNTRICHOSTATIN AA,B1C3R0.7
TSNTRICHOSTATIN AA,B,C3F0R0.7
TSNTRICHOSTATIN AA,B,C3C100.7