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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01225805

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DOE(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-
ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-
N,N',N'',N'''-TETRAACETATE
A,B,C,D1NC20.75
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.7
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.73
1MRN-METHYLANILINEX2OTZ0.73
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.81
2T3(2R,3R)-4-ANILINO-2,3-DIHYDROXY-
4-OXOBUTANOIC ACID
A2P360.71
347TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-
4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D2PJT0.7
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,B,C1L2O0.73
PDM4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-
PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID
A,C1KWO0.73
GNR2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-
2-YL)-N-HYDROXYACETAMIDE
A,B1S170.77
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.76
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.75
NYLN-ALLYL-ANILINEA1OVK0.73
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.75
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.75
BSU1,3-DIPHENYLUREAA3E850.74
BSU1,3-DIPHENYLUREAA2ZJF0.74
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.81
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.81
FOE2-(2-AMINO-3-OXO-PROPYLSULFANYL)-
N-(4-FLUORO-PHENYL)-N-ISOPROPYL-
ACETAMIDE
B1BX90.82
CBE2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-
OXATHIINE-3-CARBOXAMIDE
A,B,C,D,N,O,
P,Q
2FBW0.85
264(phenylamino)acetonitrileA2RBN0.72
CS1S-(2-ANILINYL-SULFANYL)-CYSTEINEA,B2OMA0.71