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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02316691

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
INDINDOLEA1L4H0.74
INDINDOLEA,B,G1O7N0.74
INDINDOLEA185L0.74
INDINDOLEA,B1EG90.74
INDINDOLEA,B1UUV0.74
INDINDOLEA,C,E2B240.74
INDINDOLEA,B,C,D,E,F2P850.74
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.71
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.77
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.72
LL13-pyridin-4-yl-1H-indazoleA3DNE0.7
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
3MP3-METHYLPYRIDINEA1EUB0.74
3MP3-METHYLPYRIDINEA1BM60.74
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.7
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.73
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.73
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.71
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.73
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
1UW60.76
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.76
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.76
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.7
RRR4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-
1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-
2-ONE
A1NFW0.7
D26PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-
THIAZOLE
A,B,C,D2VCX0.72
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.86
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.86
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.86
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.73
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.73
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.73
2862-ethenyl-1-methylpyridiniumX2RC20.73
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE
A1ZS50.72
D4GA,B,C,D2FDY0.71
ISQISOQUINOLINEA1GDK0.74
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.73
THZBENZOTHIAZOLEH,I,R1TBZ0.77
THZBENZOTHIAZOLEH,I,R1B5G0.77
6544-(2-THIENYL)-1-(4-METHYLBENZYL)-
1H-IMIDAZOLE
A,B1I2Z0.76
TOT1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)-
BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO-
1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM
A108D0.72
PYS2-PYRIDINETHIOLA,B1CTE0.72
PYS2-PYRIDINETHIOLA2IPP0.72
NHBN-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-
2-THIENYL]SULFONYL}AMINO)BENZAMIDE
A,B1W220.71
CK14-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN-
2-AMINE
A1PXI0.73