Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01724816
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 |
IBP | IBUPROFEN | A | 3FKX | 0.73 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.73 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.73 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.73 | |
IBP | IBUPROFEN | A | 2PWS | 0.73 | |
4TB | 4-(2-THIENYL)BUTYRIC ACID | A,B | 2AY8 | 0.77 | |
MBO | MERCURIBENZOIC ACID | A | 2QO8 | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 1LUG | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 2HOC | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 3EFI | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 3BL0 | 0.71 | |
MBO | MERCURIBENZOIC ACID | A,B,C,D,E,F | 1NAQ | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 3CAJ | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 1DR7 | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 2HL4 | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 2GD8 | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 2QP6 | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 2HD6 | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 3C7P | 0.71 | |
MBO | MERCURIBENZOIC ACID | A,B | 2JHN | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 1DR6 | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 2HNC | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 2QOA | 0.71 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.75 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.75 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.75 | |
FLP | FLURBIPROFEN | A,B,C,D | 3PGH | 0.72 | |
FLP | FLURBIPROFEN | A,B | 1CQE | 0.72 | |
FLP | FLURBIPROFEN | A,B | 1EQH | 0.72 | |
FLP | FLURBIPROFEN | A,B | 2AYL | 0.72 | |
FLP | FLURBIPROFEN | A | 1DVT | 0.72 | |
FLP | FLURBIPROFEN | A | 1R9O | 0.72 | |
SPA | THIOPHENEACETIC ACID | B | 1AJQ | 0.74 | |
M5P | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.72 | |
4FC | A | 1YSG | 0.71 | ||
TRZ | TRAZEOLIDE | A | 1C12 | 0.71 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.73 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.73 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.73 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.73 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.73 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.73 | |
ISF | A,B | 1PGE | 0.95 | ||
CPM | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 0.74 | |
C21 | THIOPHENE-2-CARBOXYLIC ACID | A,B | 2HDQ | 0.73 | |
BTP | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.72 | |
SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1PI5 | 0.71 | |
SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A | 1NXY | 0.71 | |
SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1MXO | 0.71 | |
SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1YM1 | 0.71 | |
EMT | 2-(ETHYLMERCURI-THIO)-BENZOIC ACID | A,B | 1KDG | 0.79 | |
EMT | 2-(ETHYLMERCURI-THIO)-BENZOIC ACID | A,B,C,D | 1O9L | 0.79 | |
4CB | 4-CARBOXYPHENYLBORONIC ACID | A,B | 1KDW | 0.71 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.71 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.71 | |
173 | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.77 | |
4MA | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.73 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.71 | |
PAC | 2-PHENYLACETIC ACID | B | 1PNL | 0.73 | |
PAC | 2-PHENYLACETIC ACID | B | 1K5Q | 0.73 | |
PAC | 2-PHENYLACETIC ACID | B | 1FXH | 0.73 | |
PAC | 2-PHENYLACETIC ACID | A | 2ISF | 0.73 | |
PAC | 2-PHENYLACETIC ACID | A | 2INE | 0.73 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.71 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.71 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.71 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.71 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.71 | |
FBC | A,B | 2B9A | 0.7 | ||
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.73 | |
791 | 2-PHENYLMALONIC ACID | A | 1O4P | 0.71 | |
BEZ | BENZOIC ACID | A,B | 2F8D | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1A8U | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1REE | 0.71 | |
BEZ | BENZOIC ACID | A | 1L7Q | 0.71 | |
BEZ | BENZOIC ACID | A | 1I69 | 0.71 | |
BEZ | BENZOIC ACID | H,L | 1RUL | 0.71 | |
BEZ | BENZOIC ACID | A,B | 3CCF | 0.71 | |
BEZ | BENZOIC ACID | A | 1W9Q | 0.71 | |
BEZ | BENZOIC ACID | A,B,G,J | 2DU8 | 0.71 | |
BEZ | BENZOIC ACID | H,L | 1RUA | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H | 1H4O | 0.71 | |
BEZ | BENZOIC ACID | H,L | 1RU9 | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D | 2V32 | 0.71 | |
BEZ | BENZOIC ACID | A | 2QMQ | 0.71 | |
BEZ | BENZOIC ACID | A | 1UKB | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1RED | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1OC3 | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1REF | 0.71 | |
BEZ | BENZOIC ACID | A,B | 2O02 | 0.71 | |
BEZ | BENZOIC ACID | A,B | 2VJ1 | 0.71 | |
BEZ | BENZOIC ACID | A,B,C | 1WSP | 0.71 | |
BEZ | BENZOIC ACID | A | 1HZ4 | 0.71 | |
BEZ | BENZOIC ACID | A | 2Q38 | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D | 1UUJ | 0.71 | |
BEZ | BENZOIC ACID | A,B | 2QL8 | 0.71 | |
BEZ | BENZOIC ACID | A | 2Q0I | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1S8F | 0.71 | |
BEZ | BENZOIC ACID | D,E,F,G,H | 1DJR | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H,I | 1ONI | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D | 1I7Q | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D | 2RHM | 0.71 | |
BEZ | BENZOIC ACID | A,B | 2F78 | 0.71 | |
BEZ | BENZOIC ACID | A,B | 2VL2 | 0.71 | |
BEZ | BENZOIC ACID | A | 1HD2 | 0.71 | |
BEZ | BENZOIC ACID | A | 1JU4 | 0.71 | |
BEZ | BENZOIC ACID | H,L | 2AJY | 0.71 | |
BEZ | BENZOIC ACID | A,B,C | 3GV1 | 0.71 | |
BEZ | BENZOIC ACID | A | 2Q6U | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1VE9 | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1S9A | 0.71 | |
BEZ | BENZOIC ACID | H,L,M | 1OP3 | 0.71 | |
BEZ | BENZOIC ACID | A | 1W9E | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D | 2V2G | 0.71 | |
BEZ | BENZOIC ACID | H,L | 2AK1 | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H | 2V41 | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1GYX | 0.71 | |
BEZ | BENZOIC ACID | A | 1V1T | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1YAJ | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1HKQ | 0.71 | |
BEZ | BENZOIC ACID | H,L | 1RUK | 0.71 | |
BEZ | BENZOIC ACID | A | 2Q1B | 0.71 | |
BEZ | BENZOIC ACID | H,L | 1RUM | 0.71 | |
BEZ | BENZOIC ACID | A,B | 2F7A | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H | 1KIF | 0.71 | |
BEZ | BENZOIC ACID | A,B | 2V7B | 0.71 | |
BEZ | BENZOIC ACID | H | 1NCW | 0.71 | |
BEZ | BENZOIC ACID | A,B | 1TMX | 0.71 | |
BEZ | BENZOIC ACID | A | 1URM | 0.71 | |
BEZ | BENZOIC ACID | A | 1W9O | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D | 1GXS | 0.71 | |
BEZ | BENZOIC ACID | H | 1RUP | 0.71 | |
BEZ | BENZOIC ACID | A,B,C,D | 1KQB | 0.71 | |
BEZ | BENZOIC ACID | A | 2Q9R | 0.71 | |
BEZ | BENZOIC ACID | D,H | 2OK6 | 0.71 | |
BEZ | BENZOIC ACID | A,B | 2Q0J | 0.71 | |
26C | A,B | 2F7I | 0.7 | ||
OSB | 2-SUCCINYLBENZOATE | A | 1FHV | 0.73 | |
OSB | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.73 | |
OSB | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.73 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZFK | 0.71 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZFQ | 0.71 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1Z9Y | 0.71 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZH9 | 0.71 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZGE | 0.71 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZGF | 0.71 | |
ELI | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.72 | |
BFL | A,B | 1Q4G | 0.74 | ||
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 1F2W | 0.71 | |
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 2F14 | 0.71 | |
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 1BV3 | 0.71 | |
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 2AW1 | 0.71 | |
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 1ZE8 | 0.71 | |
KPV | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.71 |