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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00520172

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.7
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2ESM0.8
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2F2U0.8
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA2GNI0.8
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA1Q8W0.8
XMJ4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-
1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE
A1IQL0.74
XMI4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE
A1IQK0.72
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.72
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide
A3HNG0.71
CKIN-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-
8-SULFONAMIDE
A2CSN0.89
736(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-
B]PYRIDINE
B2BED0.77
D4GA,B,C,D2FDY0.74
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A1Q8U0.76
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A,B3D9V0.76
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A2GNH0.76
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A2GNL0.76
XME4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-
4-PIPERIDINYL]METHYL]PIPERAZINONE
A1IQG0.7
CMW3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-
4-ylcarbamate
A2W0B0.77
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.71
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.71
U554-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDEA1JSV0.71
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.74
LZ44-[(6-chloropyrazin-2-yl)amino]benzenesulfonamideA2VTJ0.74
PYS2-PYRIDINETHIOLA,B1CTE0.71
PYS2-PYRIDINETHIOLA2IPP0.71
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.78
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.76
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.7
APY2-AMINOMETHYL-PYRIDINEI1IVP0.7
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.73
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.73
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.84
ZENT1J170.72
ZENA1QL90.72
ZENT1V2K0.72
ZENA1QL80.72
ZENA1QL70.72
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
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.78
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.74
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.82
CQP(4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-
2-YLMETHANESULFONYL)ISOQUINOLINE
A2C1B0.71
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.81
ISQISOQUINOLINEA1GDK0.72
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.73
FXAN-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-
4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE
A3CEN0.7
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.74
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.73
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.79
XMK1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-
4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE
A1IQM0.78
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.71
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.79
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
E1YDT0.75
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
A3FMD0.75
EPJEPIBATIDINEA,B,C,D,E2BYQ0.78
5IQISOQUINOLIN-5-AMINEA,B2F2T0.73
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.77
NTNISONICOTINAMIDINEA7ADH0.73