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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01150281

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FXI1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-
N-[3-fluoro-2'-(methylsulfonyl)biphenyl-
4-yl]cyclopropanecarboxamide
A2Q1J0.73
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B3GEY0.75
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A3CE00.75
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B1XK90.75
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A2Q6M0.75
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B,C,D,E,F1ZM90.75
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.76
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.73
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE
A,B1UK10.74
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE
A1RAR0.78
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE
A1RAS0.78
179N-[(naphthalen-2-ylamino)(oxo)acetyl]-
beta-D-glucopyranosylamine
A3CUT0.73
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.82
DBRADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
BUTYL-AMIDE
A1RF90.7
009(4S)-1,4-dibenzyl-N-[(1S,2R)-1-
benzyl-3-{[3-(dimethylamino)benzyl]amino}-
2-hydroxypropyl]-2-oxoimidazolidine-
4-carboxamide
A,B,C3CKR0.72
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.71
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.72
DSOADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
OCTYL-AMIDE
A1LWL0.7
DSOADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
OCTYL-AMIDE
A1RE90.7
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.74
MC2N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-
L-ARIGNINAMIDE
A1T9Y0.86
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.71
GASB,H1ETZ0.72
GASH2CGR0.72
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.72
IXSN-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-
1-methyl-2-oxoethyl]amino}ethyl]-
N'-[(1R)-1-(4-fluorophenyl)ethyl]-
5-[methyl(methylsulfonyl)amino]isophthalamide
A2QZL0.73
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE
A,B3E650.71
376N-[(naphthalen-1-ylamino)(oxo)acetyl]-
beta-D-glucopyranosylamine
A3CUU0.74
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
A,B,C,D2BUC0.72
DQO1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-
7-PIPERAZIN-1-YL-3,4-DIHYDROQUINAZOLIN-
2(1H)-ONE
A1M7Q0.75
FRPN1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-
5-METHYL-6-OXO-1-PHENYLHEXAN-2-
YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
A,B,C2FDP0.74
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.71
C4HN-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-
3-SULFANYLPROPANAMIDE
A,B2DOO0.75
LIZN-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-
N-{(2R)-2-[bis(carboxymethyl)amino]-
3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine
A,B3DSZ0.7
SIIN-(4-{[4-(cyclohexylamino)-1-(3-
fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-
3-en-8-yl]methyl}phenyl)acetamide
A3FKT0.75
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.72
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.71
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.71
3036-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE
A1OWK0.71
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.73
26BO-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-L-threonine
A,B3DDS0.71
CRIA,B1VKG0.71
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine
A,B3DD10.7
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A1SLN0.73
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A2SRT0.73
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A3BG80.73
2396-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE
A1OWH0.73
UN5{3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-
PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLIN-7-YL}-SULFAMIC ACID
A2F6Z0.73
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.71
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2HZ00.74
4976-[AMINO(IMINO)METHYL]-N-[(4R)-
4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
6-YL]-2-NAPHTHAMIDE
A1OWD0.71
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID
H1INE0.71
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID
H1IND0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.71
6756-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-
2-NAPHTHAMIDE
A1OWE0.71