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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00196955

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.74
UI28-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-
2-CARBOXIMIDAMIDE
A1SQO0.72
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
255N-(tert-butyl)-4-[5-(pyridin-2-
ylamino)quinolin-3-yl]benzenesulfonamide
A,B2R9S0.78
CKIN-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-
8-SULFONAMIDE
A2CSN0.74
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.7
DMZ4-METHYL-N-METHYL-N-(2-PHENYL-2H-
PYRAZOL-3-YL)BENZENESULFONAMIDE
A1N6B0.7
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.73
1SQISOQUINOLIN-1-AMINEA2OHK0.79
LZJ6-(2,6-dibromophenyl)pyrido[2,3-
d]pyrimidine-2,7-diamine
A,B2V580.74
DLI(3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-
4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-
3-AMINE
B2OAG0.7
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.72
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.78
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
A2J9M0.75
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.81
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
E1YDT0.86
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
A3FMD0.86
5MSN-{2-methyl-5-[(6-phenylpyrimidin-
4-yl)amino]phenyl}methanesulfonamide
A3EXO0.72
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.8
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A1Q8U0.74
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A,B3D9V0.74
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A2GNH0.74
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A2GNL0.74
MA9(3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-
4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-
3-AMINE
A2OQV0.7
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2ESM0.78
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2F2U0.78
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA2GNI0.78
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA1Q8W0.78
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.71
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.72
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.72
U554-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDEA1JSV0.72
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.72