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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03619218

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNSA,B,L2G2R0.76
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.7
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.7
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,B,C1L2O0.7
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,C1KWO0.7
PPNPARA-NITROPHENYLALANINEI1YTJ0.76
HFTHYDROXYFLUTAMIDEA2AX60.72
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.72
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE
L1KN40.72
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.71
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.7
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.7
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID
H1INE0.72
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID
H1IND0.72
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.71
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.76
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.73
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.7
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
A,L1YED0.72
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H,L1YEC0.72
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H1YEE0.72
D5G(2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)-
N-((3S)-TETRAHYDRO-2-HYDROXY-3-
FURANYL)PENTANAMIDE
A2G8E0.74
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAD0.74
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D,E,F1GTI0.74
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAC0.74
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B1GLQ0.74
GTBS-(P-NITROBENZYL)GLUTATHIONEB,D2QMC0.74
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2VO40.74
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D1K0C0.74
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.76
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.73
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.71
LIZN-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-
N-{(2R)-2-[bis(carboxymethyl)amino]-
3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine
A,B3DSZ0.7
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE
L1KN20.72
FOE2-(2-AMINO-3-OXO-PROPYLSULFANYL)-
N-(4-FLUORO-PHENYL)-N-ISOPROPYL-
ACETAMIDE
B1BX90.71
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A1SLN0.75
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A2SRT0.75
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A3BG80.75
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.82
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.7
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSK0.79
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSJ0.79
GIPS-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONEA,B1QIN0.72
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.72
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.72
AAHH1KEL0.72
AAHB,H1FL60.72
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B5GST0.7
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A1HNA0.7
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B1VF30.7
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B,C,D1HNC0.7
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B,C1XWK0.7
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B18GS0.7
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A1GSQ0.7
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B1HNB0.7
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.71