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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02137091

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.78
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.7
CDA2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-
1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-
PYRIDINYL)METHYL]ACETAMIDE
B,C1MU60.71
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.73
FRTN-(2-METHOXYETHYL)-4-({4-[2-METHYL-
1-(1-METHYLETHYL)-1H-IMIDAZOL-5-
YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE
A2W050.71
HDT4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]BENZENESULFONAMIDE
A1OIT0.76
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.82
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.82
3AP3-AMINOPYRIDINEA1AEF0.72
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.72
255N-(tert-butyl)-4-[5-(pyridin-2-
ylamino)quinolin-3-yl]benzenesulfonamide
A,B2R9S0.72
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.77
PHN1,10-PHENANTHROLINEA1LIH0.74
PHN1,10-PHENANTHROLINEA2LIG0.74
PHN1,10-PHENANTHROLINEA,B2FU70.74
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A1Q8U0.76
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A,B3D9V0.76
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A2GNH0.76
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A2GNL0.76
736(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-
B]PYRIDINE
B2BED0.73
XMJ4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-
1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE
A1IQL0.72
XMK1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-
4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE
A1IQM0.76
1MSN-[(4-methylpyrimidin-2-yl)carbamoyl]-
2-nitrobenzenesulfonamide
A3E9Y0.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.8
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.8
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.8
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.73
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.82
CMW3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-
4-ylcarbamate
A2W0B0.74
LZ44-[(6-chloropyrazin-2-yl)amino]benzenesulfonamideA2VTJ0.73
I11[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-
4-YL-AMINOMETHYL]ALANYL]PIPERIDINE
H1UVS0.75
P1E4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-
5-(trifluoromethyl)pyrimidin-2-
yl]amino}-N-methylbenzenesulfonamide
A3H3C0.72
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.82
2755-amino-1,2-dimethylpyridiniumX2RBW0.76
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.82
U554-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDEA1JSV0.73
5IQISOQUINOLIN-5-AMINEA,B2F2T0.7
ISQISOQUINOLINEA1GDK0.7
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.79
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.8
APY2-AMINOMETHYL-PYRIDINEI1IVP0.8
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.73
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.76
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
A1OZ10.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.74
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.7
D4GA,B,C,D2FDY0.81
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.79
CKIN-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-
8-SULFONAMIDE
A2CSN0.71
GAX1-{3-[(4-pyridin-2-ylpiperazin-
1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-
2-yl)urea
A2RHQ0.72
GAX1-{3-[(4-pyridin-2-ylpiperazin-
1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-
2-yl)urea
A,B,C,D2RHS0.72
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.78
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
I1P2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-
A1URW0.73
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
PYS2-PYRIDINETHIOLA,B1CTE0.77
PYS2-PYRIDINETHIOLA2IPP0.77
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
E1YDT0.75
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
A3FMD0.75
2862-ethenyl-1-methylpyridiniumX2RC20.78
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
A2J9M0.72
FRV4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-
IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-
N-METHYLBENZENESULFONAMIDE
A2W060.73
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.72