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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01283478

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XMG4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-
2-PIPERAZINECARBOXYLIC ACID
A1IQI0.7
XMD(2R)-4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-
2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER
A1IQF0.72
A2TN-[1-(3-METHYLBUTYL)PIPERIDIN-4-
YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-
4-PENTYLBENZAMIDE
A,B2IGY0.72
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.73
SBS(S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-
4-SULFAMOYL-BENZAMIDE
A1IF80.74
A1T5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-
4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-
4-YL]PYRIDINE-2-CARBOXAMIDE
A2IGX0.73
NHBN-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-
2-THIENYL]SULFONYL}AMINO)BENZAMIDE
A,B1W220.73
1802-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]-
3-[[2-CARBONYL-5-[2-(PIPERIDIN-
4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]-
PROPIONIC ACID
A,B2VC20.72
XME4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
1-[[4-HYDROXYIMINOMETHYL-1-(4-PYRIDINYL)-
4-PIPERIDINYL]METHYL]PIPERAZINONE
A1IQG0.74
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.72
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2ESM0.71
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2F2U0.71
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA2GNI0.71
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA1Q8W0.71
IHZ5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-
3-carboxamide
A3DKO0.71
MYTMETYRAPONEA1PHG0.71
MYTMETYRAPONEA1W0G0.71
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.71
XMB4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-
1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]-
THIOMORPHOLINE-1,1-DIOXIDE
A1IQE0.75
ZENT1J170.77
ZENA1QL90.77
ZENT1V2K0.77
ZENA1QL80.77
ZENA1QL70.77
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.71
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.71
I101-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-
3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE
A1BGO0.74
SBBN-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-
BENZAMIDE
A1IF90.72
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
E1YDT0.7
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
A3FMD0.7
XMI4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE
A1IQK0.76
PM21-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-
3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE
A,B,C,D2BM20.76
B97(10R)-10-methyl-3-(6-methylpyridin-
3-yl)-9,10,11,12-tetrahydro-8H-
[1,4]diazepino[5',6':4,5]thieno[3,2-
f]quinolin-8-one
X3FYJ0.73
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2G970.73
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2GVJ0.73
LIQN-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)-
2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE
A2HM10.72
SBR(R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-
4-SULFAMOYL-BENZAMIDE
A1IF70.74
XMF4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-
4-PIPERIDINYL]METHYL]PIPERAZINONE
A1IQH0.71
SN74-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-
N-METHYLPYRIDINIUM MESYLATE
A328D0.72
XMC4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-
2-PIPERAZINYL]CARBONYL]MORPHOLINE
A1IQN0.72
PF3(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-
THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID
A,B1UTZ0.7