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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02735088

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.72
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.72
SM1N-(BENZYLSULFONYL)-D-SERYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BENZYL)-
L-ALANINAMIDE
U1W130.72
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.7
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.72
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1TV50.73
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1D3H0.73
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.74
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID
H1INE0.73
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID
H1IND0.73
529(2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-
3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-
1-YL)PHENYL]PROPANAMIDE
A,C,D2BPM0.7
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.72
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.72
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.74
4CP2-[2-(4-CHLORO-PHENYLSULFANYL)-
ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-
PROPIONAMIDE
H,I2BVR0.7
GASB,H1ETZ0.77
GASH2CGR0.77
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.7
221(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-
2-CYANO-3-THIOXOPROPANAMIDE
A,B2IJN0.75
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,B3DSZ0.72
BL5A,B1RL40.72
SIIN-(4-{[4-(cyclohexylamino)-1-(3-
fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-
3-en-8-yl]methyl}phenyl)acetamide
A3FKT0.75
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.72
UN5{3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-
PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLIN-7-YL}-SULFAMIC ACID
A2F6Z0.7
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.74
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2HZ00.73
TFK3-[[(METHYLAMINO)SULFONYL]AMINO]-
2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-
1-(1-METHYLETHYL)-2-OXOPHENYL]-
1(2H)-PYRIDINE ACETAMIDE
A1EAS0.71
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.72
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A1SLN0.73
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A2SRT0.73
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A3BG80.73
FRPN1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-
5-METHYL-6-OXO-1-PHENYLHEXAN-2-
YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
A,B,C2FDP0.7
MC2N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-
L-ARIGNINAMIDE
A1T9Y0.76
BSU1,3-DIPHENYLUREAA3E850.72
BSU1,3-DIPHENYLUREAA2ZJF0.72
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.77