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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00014905

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
9DA9-DEAZAADENINEA1L1R0.73
9DA9-DEAZAADENINEA1L1Q0.73
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3B3O0.72
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3DQS0.72
JI13-({(3S,4S)-4-[(6-aminopyridin-
2-yl)methyl]pyrrolidin-3-yl}amino)propan-
1-ol
A,B3B3M0.75
26DPYRIDINE-2,6-DIAMINEA2ANZ0.89
NTNISONICOTINAMIDINEA7ADH0.71
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.71
2AP2-AMINOPYRIDINEA1AEO0.77
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3B3P0.72
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3DQT0.72
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3B3N0.81
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3DQR0.81
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.79
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.79
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.71
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.78
APY2-AMINOMETHYL-PYRIDINEI1IVP0.78
1SQISOQUINOLIN-1-AMINEA2OHK0.71
VGD6-chloro-1H-benzimidazol-2-amineA,B,C,D2WD70.71
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.8
2862-ethenyl-1-methylpyridiniumX2RC20.74
BZIBENZIMIDAZOLEA1RYC0.73
BZIBENZIMIDAZOLEA1L5F0.73
BZIBENZIMIDAZOLEA1KXM0.73
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.86
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLC0.73
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLB0.73
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.71
3AP3-AMINOPYRIDINEA1AEF0.76
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.7
DA1PYRIDINE-2,5-DIAMINEA2AQD0.87
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.71
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.71
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.74
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H
1W0C0.74
2AQQUINOLIN-2-AMINEA2OHL0.82
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.7
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.8
DX26-phenylpteridine-2,4,7-triamineA,B,C,D3BME0.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.82
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.72