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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00013187

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.73
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.7
1MRN-METHYLANILINEX2OTZ0.75
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.74
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.7
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.73
264(phenylamino)acetonitrileA2RBN0.76
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.71
3NT3-NITROTOLUENEA,B2BMR0.82
3NT3-NITROTOLUENEA,B2HMO0.82
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.79
AAHH1KEL0.73
AAHB,H1FL60.73
271N-methyl-1-phenylmethanamineX2RBT0.75
BNFN-BENZYLFORMAMIDEA,B1U3U0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.7
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.7
34A3,4-DIMETHYLANILINEA1L4K0.76
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.7