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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03957329

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CBLCHLORAMBUCILA,B3CSJ0.72
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.72
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.76
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.72
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.74
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.73
AAHH1KEL0.71
AAHB,H1FL60.71
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.84
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.76
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.72
L98(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
3-SULFANYLPROPANOIC ACID
A,B,C1ZG80.72
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.72
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
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.72
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.71
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.87
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A1SLN0.7
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A2SRT0.7
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A3BG80.7
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A3GQZ0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.71
GBS4-GUANIDINOBENZOIC ACIDX2AH40.72
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.72
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.72
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.72
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.76
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.74
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.7
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.78
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.72
TNSA,B,L2G2R0.75
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1TV50.81
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1D3H0.81
G30(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acidA3G300.82
BC13-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-
9-YL)CARBONYL]AMINO}PROPANOIC ACID
H,Y1LO00.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.73
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.79
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.79
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.79
TSNTRICHOSTATIN AA,B1T640.7
TSNTRICHOSTATIN AA,B1C3R0.7
TSNTRICHOSTATIN AA,B,C3F0R0.7
TSNTRICHOSTATIN AA,B,C3C100.7