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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00039097

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A2QWH0.77
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A3CL00.77
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A2QWK0.77
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A,B,C,D,E,F,
G,H
3CL20.77
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A2HT80.77
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A2HT70.77
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
B2HU00.77
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A,B,C,D,E,F,
G,H
2HU40.77
TDE(E)-(2R,3R,4S,5R)-3,4,5-TRIHYDROXY-
2-METHOXY-8,8-DIMETHYL-NON-6-ENOIC ACID ((3S,6R)-
6-HYDROXY-2-OXO-AZEPAN-3-YL)-AMIDE
A1QZY0.72
GDT(2E,4E)-N-[(2S,3R)-3-hydroxy-1-
[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-
2,7-dioxo-1,6-diazacyclododec-3-
en-8-yl]amino]-1-oxobutan-2-yl]dodeca-
2,4-dienamide
H,K,V,Y3BDM0.72
CYVETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT-
BUTOXYCARBONYL)-L-SERYL]AMINO}-
6-METHYL-2-(3-METHYLBUT-2-EN-1-
YL)-4-OXOHEPTANOYL]AMINO}-5-[(3R)-
2-OXOPYRROLIDIN-3-YL]PENTANOATE
A2QIQ0.71
BEUN-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-
4-(HYDROXYMETHYL)CYCLOHEX-3-EN-
1-YL]ACETAMIDE
A,B2JIW0.71