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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00523703

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
S581-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-
5-PARABROMOPHENYLPYRAZOLE
A,B,C,D1CX20.7
S581-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-
5-PARABROMOPHENYLPYRAZOLE
A,B6COX0.7
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.74
CEL4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-
1H-PYRAZOL-1-YL]BENZENESULFONAMIDE
A1OQ50.73
FRV4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-
IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-
N-METHYLBENZENESULFONAMIDE
A2W060.71
DMZ4-METHYL-N-METHYL-N-(2-PHENYL-2H-
PYRAZOL-3-YL)BENZENESULFONAMIDE
A1N6B0.74
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.73
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.75
CT94-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-
3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-
7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE
A1Y910.71
H7JN-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-
3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-
1,2-DIMETHYLPROPYL]BENZAMIDE
A,B,C2HXZ0.7
H7JN-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-
3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-
1,2-DIMETHYLPROPYL]BENZAMIDE
A,B2H7J0.7
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.73
R204-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLEA2ADU0.71
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.74
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
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A1Q8U0.72
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A,B3D9V0.72
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A2GNH0.72
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A2GNL0.72
IZ1N-[(1S)-2-{4-[(5S)-1,1-dioxido-
3-oxoisothiazolidin-5-yl]phenyl}-
1-(4-phenyl-1H-imidazol-2-yl)ethyl]-
3-(trifluoromethyl)benzenesulfonamide
A2VEU0.71
ED7N-benzyl-N-(2-{(4-cyanophenyl)[(1-
methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-
2-methylbenzenesulfonamide
B3E330.73
SM5(1E)-5-(1-piperidin-4-yl-3-pyridin-
4-yl-1H-pyrazol-4-yl)-2,3-dihydro-
1H-inden-1-one oxime
A,B3D4Q0.7
TZ43,8-DIAMINO-6-PHENYL-5-[6-[1-[2-
[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-
1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM
A,B1Q840.7
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)
A,B2R430.7
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)
A,B2PWC0.7
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)
A,B2R3W0.7
C024-(5-BENZENESULFONYLAMINO-1-METHYL-
1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE
B,C1KTT0.7
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
E1YDT0.73
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
A3FMD0.73
CM6(2S)-2-[(2,1,3-BENZOTHIADIAZOL-
4-YLSULFONYL)AMINO]-2-PHENYL-N-
PYRIDIN-4-YLACETAMIDE
A2CIB0.75