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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020030

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.75
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid
A,B2ZNQ0.71
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.73
IN31-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-
5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE
A1AYW0.71
2RBN'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-
4-methoxybenzohydrazide
A,B,C,D,E,F3DP10.7
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.74
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.79
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.71
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.73
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE
C,O2V120.71
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.73
BEK2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDEA1KJR0.75
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.75
3MB3-METHOXYBENZAMIDEA3PAX0.86
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.73
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.8
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE
A2V130.72
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.72
SHASALICYLHYDROXAMIC ACIDX1V0H0.79
SHASALICYLHYDROXAMIC ACIDA2QPK0.79
SHASALICYLHYDROXAMIC ACIDA3FNL0.79
SHASALICYLHYDROXAMIC ACIDA3GCJ0.79
SHASALICYLHYDROXAMIC ACIDA1CK60.79
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.75
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.75
ANN4-METHOXYBENZOIC ACIDA2B960.71
ANN4-METHOXYBENZOIC ACIDA2QUE0.71
ANN4-METHOXYBENZOIC ACIDA1SV30.71
ANN4-METHOXYBENZOIC ACIDA1O2E0.71
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.71
HWGN-(TERT-BUTYL)-3,5-DIMETHYL-N'-
[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)CARBONYL]BENZOHYDRAZIDE
A,D1R200.73
YE65-(2-chlorophenyl)furan-2-carbohydrazideA2P9A0.74
YE65-(2-chlorophenyl)furan-2-carbohydrazideA2P990.74