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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00850694

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE
A1NBP0.72
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE
E,H1QBV0.71
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.7
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.75
APY2-AMINOMETHYL-PYRIDINEI1IVP0.75
I11[[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-
4-YL-AMINOMETHYL]ALANYL]PIPERIDINE
H1UVS0.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.71
D4GA,B,C,D2FDY0.7
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
2755-amino-1,2-dimethylpyridiniumX2RBW0.74
SRS4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA-
12(19),13(18),15,17-TETRAENE-10-
CARBAMOYL)PENTA-METHYLSULFONEDIIMINE
A1MMR0.71
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.73
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE
A2A5U0.77
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE
A2BTR0.7
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.79
2862-ethenyl-1-methylpyridiniumX2RC20.75
CDD2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-
2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE
B,C1MUE0.71
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine
A2RIP0.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.72
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.72
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,C1MU60.73
CM9CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-
1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
A2W090.75
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.73