Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01614776
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
GB2![]() | (2R,3R,4S)-2-({[(1S)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F1A | 0.73 | ![]() |
HC6![]() | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3F2R | 0.78 | ![]() |
HC6![]() | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2- hydroxy-4,4-dimethylmorpholin-4- ium) | A,B | 3G15 | 0.78 | ![]() |
GB1![]() | (2R,3R,4S)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F18 | 0.73 | ![]() |
BS2![]() | (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11- DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN- 5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE | A,D,E | 2W8G | 0.76 | ![]() |
REN![]() | (S)-reticuline | A | 3FWA | 0.7 | ![]() |
REN![]() | (S)-reticuline | A | 3D2D | 0.7 | ![]() |
SB3![]() | 1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL- 1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE | A | 1FKG | 0.72 | ![]() |
KI2![]() | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | A,B,I,J | 1NH0 | 0.71 | ![]() |
KI2![]() | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | I | 1U8G | 0.71 | ![]() |
CMZ![]() | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.77 | ![]() |
K30![]() | (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)- 3-fluoro-1-methylpiperidin-4-yl]- 2-(hydroxymethyl)-N-methyl-2-phenyl- 2,5-dihydro-1H-pyrrole-1-carboxamide | A,B | 3CJO | 0.7 | ![]() |
VBZ![]() | (1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl- 2-aza-bicyclo[2.2.2]octane-4,7,8- triol | A,B | 2VO5 | 0.74 | ![]() |
216![]() | [4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO- 5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7- BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE | B | 1HWR | 0.72 | ![]() |
HTQ![]() | HOMOTROPINE | A,B,C | 2DQZ | 0.72 | ![]() |
HTQ![]() | HOMOTROPINE | A,B,C,D,E,F | 1MX5 | 0.72 | ![]() |
NMB![]() | 2,7-DIBENZYL-1,1-DIOXO-3,6-BIS- PHENOXYMETHYL-[1,2,7]THIADIAZEPANE- 4,5-DIOL | A | 1AJV | 0.71 | ![]() |
G27![]() | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9R | 0.74 | ![]() |
G27![]() | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9U | 0.74 | ![]() |
LOB![]() | LOBELINE | A,B,C,D,E,F, G,H,I,J | 2BYS | 0.72 | ![]() |
DMP![]() | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- [1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | B | 1BVG | 0.74 | ![]() |
DMP![]() | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- [1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | B | 1MES | 0.74 | ![]() |
DMP![]() | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- [1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | A | 1MET | 0.74 | ![]() |
DMP![]() | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- [1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | A,B | 1QBS | 0.74 | ![]() |
DMP![]() | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- [1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | B | 1BVE | 0.74 | ![]() |
DMP![]() | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- [1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)- 4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | A | 1MEU | 0.74 | ![]() |
BAD![]() | (1S)-2-amino-1-phenylethyl 6-O- beta-L-glucopyranosyl-alpha-D-mannopyranoside | A | 2QJE | 0.73 | ![]() |
GB3![]() | (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE- 3,4-DIOL | A | 2F1B | 0.72 | ![]() |
Q82![]() | {[4-R(-4-ALPHA,5-ALPHA,6-BETA,7- BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)- 1,3-BIS(4-HYDROXYMETHYL)METHYL]- 4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN- 2-YLIDENE]CYANAMIDE} | B | 1HVH | 0.72 | ![]() |
SNP![]() | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)- 2-PROPANOL | A | 1DY4 | 0.7 | ![]() |
BS1![]() | (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN- 5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE | A,F | 2W8F | 0.77 | ![]() |
TA2![]() | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.72 | ![]() |
2PM![]() | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.79 | ![]() |