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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00117708

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.74
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.78
5MSN-{2-methyl-5-[(6-phenylpyrimidin-
4-yl)amino]phenyl}methanesulfonamide
A3EXO0.71
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.73
XMH4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-
2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER
A1IQJ0.7
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.76
UI28-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-
2-CARBOXIMIDAMIDE
A1SQO0.72
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
E1YDT0.76
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
A3FMD0.76
CQP(4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-
2-YLMETHANESULFONYL)ISOQUINOLINE
A2C1B0.72
255N-(tert-butyl)-4-[5-(pyridin-2-
ylamino)quinolin-3-yl]benzenesulfonamide
A,B2R9S0.78
HM25-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-
2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
A2G6P0.72
736(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-
B]PYRIDINE
B2BED0.72
XMG4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-
2-PIPERAZINECARBOXYLIC ACID
A1IQI0.72
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.71
QGG1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-
7-YL}SULFONYL)-D-PROLINE
A,B,C,D,E,F2VNT0.78
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.71
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.71
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.77
U554-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDEA1JSV0.71
XME4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-
4-PIPERIDINYL]METHYL]PIPERAZINONE
A1IQG0.74
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.73
M031-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-yl]methanamine
A,I2VO00.7
LZ44-[(6-chloropyrazin-2-yl)amino]benzenesulfonamideA2VTJ0.75
EPJEPIBATIDINEA,B,C,D,E2BYQ0.71
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.72
FXAN-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-
4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE
A3CEN0.77
I5SISOQUINOLINE-5-SULFONIC ACID (2-
(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
A2JDO0.75
I5SISOQUINOLINE-5-SULFONIC ACID (2-
(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
A2JDT0.75
I5SISOQUINOLINE-5-SULFONIC ACID (2-
(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
A2C1A0.75
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.71
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.81
5IQISOQUINOLIN-5-AMINEA,B2F2T0.7
XMI4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE
A1IQK0.76
CKIN-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-
8-SULFONAMIDE
A2CSN0.83
PY86-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-
1(18),3(19),4,6,14,16-HEXAENE 13,13-
DIOXIDE
A2J9M0.7
XMC4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-
2-PIPERAZINYL]CARBONYL]MORPHOLINE
A1IQN0.7
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.79
XMK1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-
4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE
A1IQM0.7
XMF4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-
4-PIPERIDINYL]METHYL]PIPERAZINONE
A1IQH0.71
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.71
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A1Q8U0.73
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A,B3D9V0.73
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A2GNH0.73
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A2GNL0.73
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2ESM0.77
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2F2U0.77
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA2GNI0.77
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA1Q8W0.77
XMB4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-
1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]-
THIOMORPHOLINE-1,1-DIOXIDE
A1IQE0.72
ZENT1J170.75
ZENA1QL90.75
ZENT1V2K0.75
ZENA1QL80.75
ZENA1QL70.75
1SQISOQUINOLIN-1-AMINEA2OHK0.78