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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02818893

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1556-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-3,4-DIHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE
A1OWJ0.79
9AP9-AMINOPHENANTHRENEA1EGY0.72
4976-[AMINO(IMINO)METHYL]-N-[(4R)-
4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
6-YL]-2-NAPHTHAMIDE
A1OWD0.84
A17N-cyclopropyl-4-methyl-3-[1-(2-
methylphenyl)phthalazin-6-yl]benzamide
A,B,C,D3DS60.71
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.73
DPZ3,5-DIAMINOPHTHALHYDRAZIDEA1F3E0.7
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE
A,B1UK10.74
XX43-(2-AMINO-6-BENZOYLQUINAZOLIN-
3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE
A,B,C2Q110.71
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.73
ANCANTHRACEN-1-YLAMINEA,B1GT10.72
ANCANTHRACEN-1-YLAMINEA,B1HN20.72
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A,B1Q410.7
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A,B1UNH0.7
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A2QKR0.7
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.72
3AB3-aminobenzamideA,B,C,D3GOY0.7
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE
A,B3E650.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B3GEY0.84
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A3CE00.84
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B1XK90.84
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A2Q6M0.84
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B,C,D,E,F1ZM90.84
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.73
MC2N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-
L-ARIGNINAMIDE
A1T9Y0.73
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.7
NII2,7-bis[3-(dimethylamino)propyl]-
4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-
1,3,6,8(2H,7H)-tetrone
A,B3CDM0.77
NII2,7-bis[3-(dimethylamino)propyl]-
4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-
1,3,6,8(2H,7H)-tetrone
A3CCO0.77
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.71
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A465D0.72
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE
A452D0.72
3036-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE
A1OWK0.84
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.71
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.71
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid
A,B3DY60.7
2396-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE
A1OWH0.83
3673-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-
1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE
A1ZRK0.74
ISNISATINA,B1OJA0.72
ISNISATINA,B2BK50.72
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
A2QZL0.71
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.84
FRPN1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-
5-METHYL-6-OXO-1-PHENYLHEXAN-2-
YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
A,B,C2FDP0.76
PYQPYROQUILONA1JA90.74
PYQPYROQUILONA,B,C,D1G0O0.74
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.72
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.82
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE
A1ZSJ0.7
3581-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-
7-PIPERIDIN-4-YL-3,4-DIHYDROQUINOLIN-
2(1H)-ONE
A1OVE0.75
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.73
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.73
C164-(4-methyl-1,3-dioxo-1,3-dihydro-
2H-isoindol-2-yl)benzonitrile
A3BNZ0.73
CRIA,B1VKG0.8
ALRALRESTATINA1AZ10.7
BDCBIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-
4-CARBOXAMIDE
A,B1K2L0.71
TSNTRICHOSTATIN AA,B1T640.73
TSNTRICHOSTATIN AA,B1C3R0.73
TSNTRICHOSTATIN AA,B,C3F0R0.73
TSNTRICHOSTATIN AA,B,C3C100.73
BC13-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-
9-YL)CARBONYL]AMINO}PROPANOIC ACID
H,Y1LO00.72
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine
A,B3DD10.74
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.73
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.78
I062-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-
1,4-DIONE
D,E,F,G,H,L,
M,N,O,P
1EEF0.71
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE
A,B1RQY0.73
575(4Z)-6-bromo-4-({[4-(pyrrolidin-
1-ylmethyl)phenyl]amino}methylidene)isoquinoline-
1,3(2H,4H)-dione
A,B,C,D2ZM30.75
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.76
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}
A2GWA0.71
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}
A,B2GB90.71
6756-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-
2-NAPHTHAMIDE
A1OWE0.87
SN81,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-
4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM
A,B1ZPH0.74
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.7
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2HZ00.74
SVRA3GAN0.7
SVRA,B2NYR0.7
SVRH2H9T0.7
SVRA,B1Y4L0.7
SVRA,B,C,E,F,G,H3BJW0.7
SVRA,B1Y8E0.7
SVRH3BF60.7
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.89
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN20.73
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE
A,B1FN10.73