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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02142697

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GBS4-GUANIDINOBENZOIC ACIDX2AH40.71
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.71
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.71
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.72
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.86
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.7
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
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
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.72
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.74
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.7
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.7
AAHH1KEL0.71
AAHB,H1FL60.71
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.84
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.71
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.78
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.78
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.78
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1TV50.78
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1D3H0.78
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.89
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.89
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.89
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.89
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.72
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.7
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.7
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.73
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.75
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.7
HAQ5-AMINO-4-OXO-1,2,4,5,6,7-HEXAHYDRO-
AZEPINO[3,2,1-HI]INDOLE-2-CARBOXYLIC ACID
D1D5X0.7
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.71
CBLCHLORAMBUCILA,B3CSJ0.71
HFTHYDROXYFLUTAMIDEA2AX60.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.72
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.76
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.78
G30(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acidA3G300.82
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.71
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.72
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.71
L98(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
3-SULFANYLPROPANOIC ACID
A,B,C1ZG80.71
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.72
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.75
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.7
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.7
BC13-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-
9-YL)CARBONYL]AMINO}PROPANOIC ACID
H,Y1LO00.74
TNSA,B,L2G2R0.74