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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01560440

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.75
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.74
LZ44-[(6-chloropyrazin-2-yl)amino]benzenesulfonamideA2VTJ0.72
RDR4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-
1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-
C]PYRIDIN-2-YL]METHYL}PIPERAZIN-
2-ONE
A1NFX0.7
RRR4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-
1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-
2-ONE
A1NFW0.75
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
E1YDT0.71
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
A3FMD0.71
XMH4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-
2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER
A1IQJ0.72
736(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-
B]PYRIDINE
B2BED0.77
XME4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-
4-PIPERIDINYL]METHYL]PIPERAZINONE
A1IQG0.78
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A1Q8U0.71
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A,B3D9V0.71
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A2GNH0.71
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A2GNL0.71
D915-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN-
4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN-
1-YL}SULFONYL)-1H-INDOLE
A1WU10.7
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.77
XMD(2R)-4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-
2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER
A1IQF0.74
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.73
XMB4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-
1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]-
THIOMORPHOLINE-1,1-DIOXIDE
A1IQE0.79
CDD2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-
2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE
B,C1MUE0.72
XMG4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-
2-PIPERAZINECARBOXYLIC ACID
A1IQI0.74
XMK1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-
4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE
A1IQM0.79
CMW3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-
4-ylcarbamate
A2W0B0.76
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2ESM0.73
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2F2U0.73
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA2GNI0.73
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA1Q8W0.73
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE
A1CVZ0.7
XMJ4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-
1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE
A1IQL0.83
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.72
CM9CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-
1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
A2W090.72
XMC4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-
2-PIPERAZINYL]CARBONYL]MORPHOLINE
A1IQN0.74
XMI4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE
A1IQK0.81
ZENT1J170.78
ZENA1QL90.78
ZENT1V2K0.78
ZENA1QL80.78
ZENA1QL70.78
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE
E,H1QBV0.73
XMA(-)-7-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]TETRAHYDRO-
8A-(METHOXYMETHYL)-1'-(4-PYRIDINYL)-
SPIRO[5H-OXAZOLO[3,2-A]PYRAZINE-
2(3H),4'-PIPERIDIN]-5-ONE
A1IOE0.72
CM6(2S)-2-[(2,1,3-BENZOTHIADIAZOL-
4-YLSULFONYL)AMINO]-2-PHENYL-N-
PYRIDIN-4-YLACETAMIDE
A2CIB0.74
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.72
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.71
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide
A3HNG0.74
XMF4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-
4-PIPERIDINYL]METHYL]PIPERAZINONE
A1IQH0.76
CKIN-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-
8-SULFONAMIDE
A2CSN0.79
I11[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-
4-YL-AMINOMETHYL]ALANYL]PIPERIDINE
H1UVS0.77
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.76
I5SISOQUINOLINE-5-SULFONIC ACID (2-
(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
A2JDO0.72
I5SISOQUINOLINE-5-SULFONIC ACID (2-
(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
A2JDT0.72
I5SISOQUINOLINE-5-SULFONIC ACID (2-
(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
A2C1A0.72
FXAN-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-
4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE
A3CEN0.75