Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00047778
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 |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.72 | |
959 | benzyl (2-oxopropyl)carbamate | A | 3D62 | 0.71 | |
24B | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.73 | |
FBC | A,B | 2B9A | 0.71 | ||
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.72 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.71 | |
PAC | 2-PHENYLACETIC ACID | B | 1PNL | 0.71 | |
PAC | 2-PHENYLACETIC ACID | B | 1K5Q | 0.71 | |
PAC | 2-PHENYLACETIC ACID | B | 1FXH | 0.71 | |
PAC | 2-PHENYLACETIC ACID | A | 2ISF | 0.71 | |
PAC | 2-PHENYLACETIC ACID | A | 2INE | 0.71 | |
341 | (3,5-difluorophenyl)methanol | C | 3EON | 0.72 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.77 | |
26C | A,B | 2F7I | 0.71 | ||
IBP | IBUPROFEN | A | 3FKX | 0.7 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.7 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.7 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.7 | |
IBP | IBUPROFEN | A | 2PWS | 0.7 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.73 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.84 | |
PHQ | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.84 | |
RMN | (R)-MANDELIC ACID | A | 1MDL | 0.71 | |
RMN | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.71 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.73 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.73 | |
TOM | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.71 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.82 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.71 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.72 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.72 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.72 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.73 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.73 | |
4MA | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.74 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.71 | |
4FC | A | 1YSG | 0.7 | ||
295 | (2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid | A,B | 2RJR | 0.7 | |
ZZ1 | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.7 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.73 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTG | 0.73 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.79 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.72 | |
CLT | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.71 | |
CLT | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.71 | |
CLT | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.71 | |
SEM | 3-AMINO-4-OXYBENZYL-2-BUTANONE | A,B | 1THE | 0.73 |