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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02214056

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PY7PYRIDIN-4-YLMETHANOLA2EUR0.72
DA1PYRIDINE-2,5-DIAMINEA2AQD0.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.81
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.81
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.81
4AP4-AMINOPYRIDINEA1AEG0.76
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.74
3MP3-METHYLPYRIDINEA1EUB0.84
3MP3-METHYLPYRIDINEA1BM60.84
2AP2-AMINOPYRIDINEA1AEO0.73
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.75
3AP3-AMINOPYRIDINEA1AEF0.75
2862-ethenyl-1-methylpyridiniumX2RC20.81
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.71
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.72
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.72
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.72
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.78
APY2-AMINOMETHYL-PYRIDINEI1IVP0.78
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.85
PYS2-PYRIDINETHIOLA,B1CTE0.89
PYS2-PYRIDINETHIOLA2IPP0.89
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
1UW60.74
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.74
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.74
NTNISONICOTINAMIDINEA7ADH0.78
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.74
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.74
D4GA,B,C,D2FDY0.88
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.72
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.72
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.73
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.73
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.73
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.71
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.89
THZBENZOTHIAZOLEH,I,R1TBZ0.72
THZBENZOTHIAZOLEH,I,R1B5G0.72
ISQISOQUINOLINEA1GDK0.73
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.71
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.72