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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01792327

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3XH3-Hydroxyhippuric acidA3E9K0.75
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.77
3AB3-aminobenzamideA,B,C,D3GOY0.7
0A9methyl L-phenylalaninateA1AY20.74
0A9methyl L-phenylalaninateI5ER10.74
0A9methyl L-phenylalaninateI,P1HDT0.74
314N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-
2-yl]-1-(3,5-difluorobenzyl)-2-
hydroxyethyl]-5-methyl-N,N-dipropylbenzene-
1,3-dicarboxamide
A,B3CIB0.71
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.74
4PH4-methyl-L-phenylalanineB,C3BV90.73
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.71
821A1O430.71
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.73
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
A,B3FCL0.72
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.74
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.7
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE
A,B2FV90.74
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.73
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.75
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.79
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.7
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.71
186[1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
X1U9Q0.71