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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03517983

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID		A2BXN0.74
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.73
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE		A1AMN0.72
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE		A,B2H9Y0.72
ILBA2FPT0.74
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE		A,B,C,D,E,F2P6F0.71
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.72
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.76
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.9
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL		A,B,C,D1PQ90.71
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE		A4PAX0.72
VRV6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-
4-PHENYL-1,2-DIHYDROPYRIDINE-3-
CARBONITRILE		A2OBJ0.74
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.7
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.7
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.7
3B6(2S)-N-(4-cyano-3-iodophenyl)-3-
(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide		A3B650.71
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.74
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.7
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.72
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide		A,B3ESN0.8
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide		A3FYX0.71
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.78
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.71
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE		A,B1EH40.72
UA1N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-
N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE		A2I4H0.7
UA1N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-
N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE		A2I4G0.7
DMBA,B1SRI0.73
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.73
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.73
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.73
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.73
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE		A2EW60.75
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.75
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,D2VW50.74
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID		A1ONZ0.72
TCC2-(2,4-DICHLORO-PHENYLAMINO)-PHENOLA,B1NHW0.73
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.7
EDREDROPHONIUM IONA1AX90.72
EDREDROPHONIUM IONA2ACK0.72
3FTA2BXV0.76
136N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-
2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE		B1GJD0.72
TY23-AMINO-L-TYROSINEA,B2VH30.71
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.85
GP81-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREAA1BJV0.72
3GV(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-
3-carboxylic acid		A,B3GVB0.72
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE		A,B,C,D,E,F,
G,H		2ACL0.73
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.74
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.74
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.74
MTBA,B1SRF0.71
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.73
2AF2-AMINOPHENOLA1L4N0.72
7901,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4F0.71
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.71
DZ3N-(3,5-dibromo-4-hydroxyphenyl)-
4-hydroxy-3,5-dimethylbenzamide		A,B3ESP0.78
SH4(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATEH1UM40.75
ILHA2FQI0.75
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.73
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.75
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.7
GAB3-AMINOBENZOIC ACIDA,B3GSB0.7
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.7
GAB3-AMINOBENZOIC ACIDA3FHB0.7
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.72
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.79
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE		A1Q7A0.79
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE		A,B2BXB0.79
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE		A2BXO0.79
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.79
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.74
MHBA,B1SRG0.75
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid		A3CHS0.72
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE		A1YXV0.76
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.76
GWB4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-
3-ISOPROPYLQUINOLIN-2(1H)-ONE		A1TKX0.71
3XH3-Hydroxyhippuric acidA3E9K0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.89
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.89
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.89
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.89
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.89
DZ22,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3ESO0.76
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.74
HABA,B1SRE0.76
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.74
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE		A1YXX0.82
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.72
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID		G4GCH0.78
AZY3-AZIDO-L-TYROSINEA2YXN0.7
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3BYX0.73
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3BZ00.73
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID		A,B,C,D1G9V0.73
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.72
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE		B1GJA0.82
2AC2-AMINO-P-CRESOLH,I1A2C0.77
2AC2-AMINO-P-CRESOLA1L4M0.77
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid		A,B,C,D2VD00.74
4NL4-AMINOPHENOLA2ORL0.76
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.71
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE		A1ZSJ0.74
SOAISATOIC ANHYDRIDEA1BIO0.7
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.73