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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02819171

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3MP3-METHYLPYRIDINEA1EUB0.85
3MP3-METHYLPYRIDINEA1BM60.85
MILMILRINONEA,B1TLM0.72
PYS2-PYRIDINETHIOLA,B1CTE0.8
PYS2-PYRIDINETHIOLA2IPP0.8
PHN1,10-PHENANTHROLINEA1LIH0.75
PHN1,10-PHENANTHROLINEA2LIG0.75
PHN1,10-PHENANTHROLINEA,B2FU70.75
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.8
2AP2-AMINOPYRIDINEA1AEO0.75
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.73
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.74
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.74
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.74
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.77
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.8
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.8
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
1UW60.79
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.79
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.79
NCANICOTINAMIDEA,B2E5D0.7
NCANICOTINAMIDEA,B,C,D2Z770.7
NCANICOTINAMIDEA,B1DMA0.7
NCANICOTINAMIDEA,B1ISM0.7
NCANICOTINAMIDEA,B1YC50.7
NCANICOTINAMIDEA2ZB70.7
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.7
NCANICOTINAMIDEA,B2QQG0.7
NCANICOTINAMIDEA2OTV0.7
NCANICOTINAMIDEA2QHF0.7
NCANICOTINAMIDEA,B,C,D2C8A0.7
NCANICOTINAMIDEA,B2HJH0.7
NCANICOTINAMIDEA2A150.7
NCANICOTINAMIDEA2R6V0.7
NCANICOTINAMIDEA,B1ISI0.7
NCANICOTINAMIDEA,D,E2R9J0.7
NCANICOTINAMIDEA2H4J0.7
NCANICOTINAMIDEA,B2OD90.7
NCANICOTINAMIDEA,B,C,D,E1YC20.7
NCANICOTINAMIDEA,B3DZG0.7
NCANICOTINAMIDEA1OJU0.7
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.76
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.76
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.76
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.81
4AP4-AMINOPYRIDINEA1AEG0.82
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.73
PYF3-PYRIDINYLCARBINOLA,B1R160.7
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.77
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.71
26DPYRIDINE-2,6-DIAMINEA2ANZ0.7
DA1PYRIDINE-2,5-DIAMINEA2AQD0.85
NTNISONICOTINAMIDINEA7ADH0.8
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.79
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.75
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.7
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.76
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.73
PY7PYRIDIN-4-YLMETHANOLA2EUR0.71
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.77
3AP3-AMINOPYRIDINEA1AEF0.88
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.78
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.78
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.78
2755-amino-1,2-dimethylpyridiniumX2RBW0.9
ISQISOQUINOLINEA1GDK0.74
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.76
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.88
APY2-AMINOMETHYL-PYRIDINEI1IVP0.88
5IQISOQUINOLIN-5-AMINEA,B2F2T0.75
D4GA,B,C,D2FDY0.79
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.72
2862-ethenyl-1-methylpyridiniumX2RC20.86