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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00045205

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
7141-(2,2-diphosphonoethyl)-3-(octyloxy)pyridiniumA,B3EFQ0.71
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.71
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.71
BQN4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-
2,3-bis(trifluoromethyl)phenyl]prop-
2-enoyl}morpholine
B,C3BQN0.7
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUK0.76
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDU0.82
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.82
L11N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-
PHENYL]-3-FLUORO-
A1W830.71
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE
A,B,C1O6H0.7
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBO0.72
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDV0.8
NIONICOTINIC ACIDA1JHQ0.75
NIONICOTINIC ACIDA1L5L0.75
NIONICOTINIC ACIDA2F7F0.75
NIONICOTINIC ACIDA1L5K0.75
NIONICOTINIC ACIDA1JHY0.75
NIONICOTINIC ACIDA,B1FSL0.75
NIONICOTINIC ACIDA1L5M0.75
NIONICOTINIC ACIDA1LH60.75
NIONICOTINIC ACIDA1JHO0.75
NIONICOTINIC ACIDA3CI80.75
NIONICOTINIC ACIDA,B,C,D1ICU0.75
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H
3HRD0.75
NIONICOTINIC ACIDA1JHA0.75
NIONICOTINIC ACIDA1JHV0.75
NIONICOTINIC ACIDA1L4N0.75
NIONICOTINIC ACIDA2LH60.75
NIONICOTINIC ACIDA1D0V0.75
NIONICOTINIC ACIDA,B,C,D1ICV0.75
NIONICOTINIC ACIDA,B1ICR0.75
NIONICOTINIC ACIDA1JHR0.75
7213-butoxy-1-(2,2-diphosphonoethyl)pyridiniumA,B3DYH0.71
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.7
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.7
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.7
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.7
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.7
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.7
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.7
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.7
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.7
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.7
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.7
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.7
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUJ0.77
TCD3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRIDIN-
2-YL)OXY]PHENOXY}PYRIDINE
A,B,C,D,E,F,
G,H
1XLS0.72
PIX4-(3-{[5-(trifluoromethyl)pyridin-
2-yl]oxy}benzyl)piperidine-1-carboxylic acid
A,B2WAP0.75
5472,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-
B]PYRIDIN-4-AMINE
A2OF20.71
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A,B,C,D2W0D0.71
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A3AYK0.71
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A,B1JIZ0.71
CGSN-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-
PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE
A4AYK0.71
POS1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]-
3-[[N/N-(4-PYRIDINYLCARBONYL)-L-
LEUCYL]AMINO]-2-PROPANOL
A1AU20.72
PXA2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-3-OXO(8-AZA)PHENOXAZINE
A209D0.74
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEU0.7
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEV0.7
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.8
608N-(4-phenoxyphenyl)-2-[(pyridin-
4-ylmethyl)amino]nicotinamide
A,B2P2I0.77
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE
A1FLS0.75
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE
A1FM10.75
KIN1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-
[3-(TRIFLUOROMETHYL)PHENYL]UREA
A2HZN0.72
BT1{2-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-
PHENYL]-BENZO[B]THIOPHEN-3-YL}-
[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-
METHANONE
B,H1D3T0.74
319N-({4-[(2-aminopyridin-4-yl)oxy]-
3-fluorophenyl}carbamoyl)-2-(4-
fluorophenyl)acetamide
A3CTH0.7
8935-CYANO-N-(2,5-DIMETHOXYBENZYL)-
6-ETHOXYPYRIDINE-2-CARBOXAMIDE
A,B2H960.73
3B82-amino-7-fluoro-5-oxo-5H-chromeno[2,3-
b]pyridine-3-carboxamide
A3BA80.71
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
A1ZLR0.71
PIL3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-METHOXYBENZAMIDE
A,B1XM40.72
PIL3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-METHOXYBENZAMIDE
A,B1XON0.72
H1L(2S)-2-(4-{[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-
2-YL]OXY}PHENOXY)PROPANOIC ACID
A,B,C1UYS0.73
H863-(decyloxy)-5-(3,5-difluorophenyl)-
1-(2,2-diphosphonoethyl)pyridinium
A,B2Z780.7
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.72
7221-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridiniumA,B3EGT0.72
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.76
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.76
ROF3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE
A,B1XOQ0.71
ROF3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-
4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE
A,B1XMU0.71
LI43-(1-NAPHTHYLMETHOXY)PYRIDIN-2-
AMINE
A1WBW0.7
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.73
2823-methoxypyridineX2RBZ0.72
3IP3-(BENZYLOXY)PYRIDIN-2-AMINEA1W7H0.76