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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00065107

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.77
GBS4-GUANIDINOBENZOIC ACIDX2AH40.71
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.71
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.71
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.72
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.72
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.91
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.91
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.91
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.91
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.86
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.71
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.71
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.71
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.71
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.71
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.71
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.71
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.71
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.78
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.7
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.76
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.73
221(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-
2-CYANO-3-THIOXOPROPANAMIDE
A,B2IJN0.7
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.74
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.77
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.73
AAHH1KEL0.71
AAHB,H1FL60.71
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.73
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.84
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.71
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1TV50.78
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1D3H0.78
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.72
L98(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
3-SULFANYLPROPANOIC ACID
A,B,C1ZG80.72
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.72
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.72
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.72
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.75
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.73
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.73
CBLCHLORAMBUCILA,B3CSJ0.73
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.72
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.72
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.7
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.7
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.72
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.73
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.75
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.75
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.75
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.74
HFTHYDROXYFLUTAMIDEA2AX60.76
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.7
G30(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acidA3G300.88
2T3(2R,3R)-4-ANILINO-2,3-DIHYDROXY-
4-OXOBUTANOIC ACID
A2P360.7
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.74
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.78
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.72
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.72
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.72
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.79
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.79
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.79
TNSA,B,L2G2R0.74