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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02663651

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.73
GBS4-GUANIDINOBENZOIC ACIDX2AH40.71
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.71
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.71
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.71
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.72
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.72
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.72
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.72
1JZ1-[4-(hydroxymethyl)phenyl]guanidineB3FVF0.74
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.75
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.75
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.75
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.82
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.78
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.7
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.72
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.72
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.72
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.72
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.72
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.72
MXX5,8-dimethoxy-1,4-dimethylquinolin-
2(1H)-one
A,B3GAM0.71
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE
A1YXV0.74
TY23-AMINO-L-TYROSINEA,B2VH30.72
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.73
136N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-
2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE
B1GJD0.7
2AC2-AMINO-P-CRESOLH,I1A2C0.76
2AC2-AMINO-P-CRESOLA1L4M0.76
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE
A1YXX0.75
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.71
ILHA2FQI0.71
AZY3-AZIDO-L-TYROSINEA2YXN0.71
ILBA2FPT0.7
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A1Q7A0.74
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A,B2BXB0.74
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A2BXO0.74
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.73
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.73
CLKALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOLA1GRQ0.7
SOAISATOIC ANHYDRIDEA1BIO0.71
SH4(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATEH1UM40.73
3GV(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A,B3GVB0.72
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.7
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.75
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.74
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.71
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.7
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.71
BC6(4E,8S,9R,10E,12S,13R,14S,16R)-
13,20-dihydroxy-14-methoxy-4,8,10,12,16-
pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-
1(22),4,10,18,20-pentaen-9-yl carbamate
A,B,C,D2VW50.8
3B6(2S)-N-(4-cyano-3-iodophenyl)-3-
(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
A3B650.7
3FTA2BXV0.72
GWB4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-
3-ISOPROPYLQUINOLIN-2(1H)-ONE
A1TKX0.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.72
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1TV50.71
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1D3H0.71
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide
A,B3ESN0.73
VRV6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-
4-PHENYL-1,2-DIHYDROPYRIDINE-3-
CARBONITRILE
A2OBJ0.71
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.71
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.71
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.71
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.86
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.75
DZ3N-(3,5-dibromo-4-hydroxyphenyl)-
4-hydroxy-3,5-dimethylbenzamide
A,B3ESP0.74
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.75
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.79
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.79
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.79
EDREDROPHONIUM IONA1AX90.79
EDREDROPHONIUM IONA2ACK0.79
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.7
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.72
4NL4-AMINOPHENOLA2ORL0.71
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.73
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.77
AA63-[4,5-DIHYDROXY-2-2-(2-HYDROXYETHYLAMINO)-
PHENYL]-2-METHYLAMINO-PROPIONIC ACID
E,I1QR30.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.84
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.84
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.84
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.84
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.84
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.71