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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02805216

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NTNISONICOTINAMIDINEA7ADH0.79
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.71
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.8
PHN1,10-PHENANTHROLINEA1LIH0.75
PHN1,10-PHENANTHROLINEA2LIG0.75
PHN1,10-PHENANTHROLINEA,B2FU70.75
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.75
5IQISOQUINOLIN-5-AMINEA,B2F2T0.76
D4GA,B,C,D2FDY0.74
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.77
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.81
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.73
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.74
PYS2-PYRIDINETHIOLA,B1CTE0.76
PYS2-PYRIDINETHIOLA2IPP0.76
4AP4-AMINOPYRIDINEA1AEG0.82
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.75
DA1PYRIDINE-2,5-DIAMINEA2AQD0.85
2755-amino-1,2-dimethylpyridiniumX2RBW0.92
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.71
3AP3-AMINOPYRIDINEA1AEF0.89
MILMILRINONEA,B1TLM0.75
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.75
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.72
2862-ethenyl-1-methylpyridiniumX2RC20.84
ISQISOQUINOLINEA1GDK0.72
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.73
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
1UW60.74
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.74
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.74
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.9
APY2-AMINOMETHYL-PYRIDINEI1IVP0.9
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.71
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.74
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.74
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.74
9DA9-DEAZAADENINEA1L1R0.71
9DA9-DEAZAADENINEA1L1Q0.71
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.72
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.77
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.77
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.73
2AP2-AMINOPYRIDINEA1AEO0.76
26DPYRIDINE-2,6-DIAMINEA2ANZ0.71
3MP3-METHYLPYRIDINEA1EUB0.79
3MP3-METHYLPYRIDINEA1BM60.79
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.72
INDINDOLEA1L4H0.71
INDINDOLEA,B,G1O7N0.71
INDINDOLEA185L0.71
INDINDOLEA,B1EG90.71
INDINDOLEA,B1UUV0.71
INDINDOLEA,C,E2B240.71
INDINDOLEA,B,C,D,E,F2P850.71