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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01720913

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.74
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.7
1C23(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-
BUTYL ESTER
A2F6T0.73
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.7
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.74
3AB3-aminobenzamideA,B,C,D3GOY0.73
AAA(2-ACETYL-5-METHYLANILINO)(2,6-
DIBROMOPHENYL)ACETAMIDE
A1HNI0.79
529(2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-
3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-
1-YL)PHENYL]PROPANAMIDE
A,C,D2BPM0.73
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE
B2G630.73
6756-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-
2-NAPHTHAMIDE
A1OWE0.7
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.72
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.74
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE
C2IPK0.77
3036-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE
A1OWK0.71
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.72
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.7
23IN-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-
5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-
2-METHYLPROPYL}AMINO)-4-METHYL-
5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-
N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
A,B,C,D2P4J0.74
2396-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE
A1OWH0.73
4976-[AMINO(IMINO)METHYL]-N-[(4R)-
4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
6-YL]-2-NAPHTHAMIDE
A1OWD0.71
575(4Z)-6-bromo-4-({[4-(pyrrolidin-
1-ylmethyl)phenyl]amino}methylidene)isoquinoline-
1,3(2H,4H)-dione
A,B,C,D2ZM30.74