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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02854429

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.72
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.72
BC6(4E,8S,9R,10E,12S,13R,14S,16R)-
13,20-dihydroxy-14-methoxy-4,8,10,12,16-
pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-
1(22),4,10,18,20-pentaen-9-yl carbamate
A,B,C,D2VW50.7
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.78
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.78
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.78
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.78
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.71
REN(S)-reticulineA3FWA0.7
REN(S)-reticulineA3D2D0.7
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.74
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID
A,B,C,D1G9V0.71
3B6(2S)-N-(4-cyano-3-iodophenyl)-3-
(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
A3B650.71
ROSN,N'-TETRAMETHYL-ROSAMINEA1F1T0.71
MOBA,B1SRH0.74
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.75
B11N-[3-(4-FLUOROPHENOXY)PHENYL]-4-
[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-
1-SULFONAMIDE
A1ZZ20.74
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.79
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.72
TYNAMINOBENZOFURAZAN-O-TYROSINEA,B,C,D,E,F1NBM0.71
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE
B166D0.71
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.72
7714-(4-BENZYLOXY-2-METHANESULFONYLAMINO-
5-METHOXY-BENZYLAMINO)-BENZAMIDINE
H,L1W0Y0.72
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.71
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.72
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid
A3CHS0.75
GVB(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-
3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE
A,B2JID0.77
DPDA,B1QIW0.72
DPDA1QIV0.72
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.72
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.72
TN52-(4-AMINO-2-CHLOROPHENOXY)-5-CHLOROPHENOLA,B1ZW10.75
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.72
GAT4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDED,E,F,G,H1EFI0.77
B664-{[(1R,2S)-1,2-dihydroxy-2-methyl-
3-(4-nitrophenoxy)propyl]amino}-
2-(trifluoromethyl)benzonitrile
A3B660.71
P324-{[(2S)-3-(tert-butylamino)-2-
hydroxypropyl]oxy}-3H-indole-2-
carbonitrile
A,B,C,D2VT40.75