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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02677845

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.82
EDREDROPHONIUM IONA1AX90.85
EDREDROPHONIUM IONA2ACK0.85
4NC4-NITROCATECHOLA1NO30.7
4NC4-NITROCATECHOLB2BUU0.7
4NC4-NITROCATECHOLB2BUZ0.7
4NC4-NITROCATECHOLB1EOC0.7
TCC2-(2,4-DICHLORO-PHENYLAMINO)-PHENOLA,B1NHW0.72
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE
A1YXX0.72
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.72
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.74
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.74
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.74
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE
A1YXV0.7
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.79
RJ6N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamideA,B,C,D3DG80.7
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.76
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.71
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A1Q7A0.75
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A,B2BXB0.75
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A2BXO0.75
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,D2VW50.75
2AC2-AMINO-P-CRESOLH,I1A2C0.73
2AC2-AMINO-P-CRESOLA1L4M0.73
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide
A,B3ESN0.7
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.73
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.78
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.91
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.91
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.91
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.91
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.91
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.7
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.7
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.71
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.7
3GV(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A,B3GVB0.74
2AF2-AMINOPHENOLA1L4N0.75
HPF1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATEA,B1TJP0.73
4NL4-AMINOPHENOLA2ORL0.76