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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02758049

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
ISQISOQUINOLINEA1GDK0.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.71
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.72
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2ESM0.81
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2F2U0.81
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA2GNI0.81
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA1Q8W0.81
3MP3-METHYLPYRIDINEA1EUB0.7
3MP3-METHYLPYRIDINEA1BM60.7
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.77
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
1UW60.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.71
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.84
CMW3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-
4-ylcarbamate
A2W0B0.76
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.83
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.8
HFS1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINEE2ERZ0.7
HFS1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINEA,B2ETK0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.74
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A1Q8U0.78
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A,B3D9V0.78
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A2GNH0.78
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A2GNL0.78
CKIN-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-
8-SULFONAMIDE
A2CSN0.76
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.73
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
A2J9M0.72
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
E1YDT0.85
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
A3FMD0.85