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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00353078

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.7
744(3S)-N-(5-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7N0.86
ICL[1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)-
2-METHYL-PROPYL]-CARBAMIC ACID TERT-
BUTYL ESTER
A1INC0.73
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.76
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.73
641(3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-
5-OXOPYRROLIDINE-3-CARBOXAMIDE
A2H7M0.81
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.76
DZP7-CHLORO-1-METHYL-5-PHENYL-1,3-
DIHYDRO-2H-1,4-BENZODIAZEPIN-2-
ONE
A,B2BXF0.74
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.73
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.73
8NH2-CHLORO-4-[(7R,7AS)-7-HYDROXY-
1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-
C]IMIDAZOL-2(3H)-YL]-3-METHYLBENZONITRILE
A2NW40.72
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.73
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.77
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.71
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I3DUX0.73
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.75
468(3S)-N-(3-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7P0.88
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.74
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE
A1VRU0.73
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE
A1HPZ0.73