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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00641981

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RPF1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-
PHENYL}-6-(1,2,,3,4-TETRAHYDRO-
QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-
2-ONE
A,B2BKT0.7
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A4A3H0.71
DCB2,4-DINITROPHENYL-2-DEOXY-2-FLUORO-
BETA-D-CELLOBIOSIDE
A1H2J0.71
PTI2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-
ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLIN-6-OL
A1UOM0.7
NPJ4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-
ALPHA-D-GALACTOPYRANOSIDE
A,B,C2GGX0.74
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.71
B664-{[(1R,2S)-1,2-dihydroxy-2-methyl-
3-(4-nitrophenoxy)propyl]amino}-
2-(trifluoromethyl)benzonitrile
A3B660.72
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.73
GAT4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDED,E,F,G,H1EFI0.76
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.71
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1EFA0.71
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B2PAF0.71
NPFORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDEA,B,C1JWL0.71
PZ1(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-
DIHYDROQUINOLIN-7-YL]OXY}METHYL)-
1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-
2-ONE
B2FS40.75
PZ1(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-
DIHYDROQUINOLIN-7-YL]OXY}METHYL)-
1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-
2-ONE
A2BKS0.75
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZU0.73
PNJPNP-BETA-D-GLUCOSAMINEA,B2VZT0.73
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.72
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.72
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.74
GVB(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-
3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE
A,B2JID0.72
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.72
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.72
GCKA,B1KGK0.7
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.7
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.71
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.72
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.72
JP1N-[3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)PHENYL]MORPHOLINE-
4-CARBOXAMIDE
A,B1ZXL0.72
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE
A,B1E560.76
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE
A,B1H490.76
HBO2,4-DIHYDROXY-7-(METHYLOXY)-2H-
1,4-BENZOXAZIN-3(4H)-ONE
A,B1E4N0.76
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid
A3CHS0.7
DRF(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-
10-YL)ETHOXY]PHENYL}PROPANOIC ACID
A1NYX0.73