Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00752315
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 | |
TMM | 1,3,5-BENZENETRICARBOXYLIC ACID | A,B,C,D | 1SDL | 0.73 | |
TMM | 1,3,5-BENZENETRICARBOXYLIC ACID | A,B,C,D | 1SDK | 0.73 | |
24I | (2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID | A | 2C6C | 0.78 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.72 | |
KPV | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.74 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.73 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.73 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.73 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z | 1VQ6 | 0.73 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.73 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z | 1VQP | 0.73 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z | 1VQN | 0.73 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.73 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.73 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.73 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.73 | |
BIP | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.74 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.78 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.72 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.73 | |
UIN | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.74 | |
M5P | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.73 | |
PAC | 2-PHENYLACETIC ACID | B | 1PNL | 0.76 | |
PAC | 2-PHENYLACETIC ACID | B | 1K5Q | 0.76 | |
PAC | 2-PHENYLACETIC ACID | B | 1FXH | 0.76 | |
PAC | 2-PHENYLACETIC ACID | A | 2ISF | 0.76 | |
PAC | 2-PHENYLACETIC ACID | A | 2INE | 0.76 | |
BEZ | BENZOIC ACID | A,B | 2F8D | 0.7 | |
BEZ | BENZOIC ACID | A,B | 1A8U | 0.7 | |
BEZ | BENZOIC ACID | A,B | 1REE | 0.7 | |
BEZ | BENZOIC ACID | A | 1L7Q | 0.7 | |
BEZ | BENZOIC ACID | A | 1I69 | 0.7 | |
BEZ | BENZOIC ACID | H,L | 1RUL | 0.7 | |
BEZ | BENZOIC ACID | A,B | 3CCF | 0.7 | |
BEZ | BENZOIC ACID | A | 1W9Q | 0.7 | |
BEZ | BENZOIC ACID | A,B,G,J | 2DU8 | 0.7 | |
BEZ | BENZOIC ACID | H,L | 1RUA | 0.7 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H | 1H4O | 0.7 | |
BEZ | BENZOIC ACID | H,L | 1RU9 | 0.7 | |
BEZ | BENZOIC ACID | A,B,C,D | 2V32 | 0.7 | |
BEZ | BENZOIC ACID | A | 2QMQ | 0.7 | |
BEZ | BENZOIC ACID | A | 1UKB | 0.7 | |
BEZ | BENZOIC ACID | A,B | 1RED | 0.7 | |
BEZ | BENZOIC ACID | A,B | 1OC3 | 0.7 | |
BEZ | BENZOIC ACID | A,B | 1REF | 0.7 | |
BEZ | BENZOIC ACID | A,B | 2O02 | 0.7 | |
BEZ | BENZOIC ACID | A,B | 2VJ1 | 0.7 | |
BEZ | BENZOIC ACID | A,B,C | 1WSP | 0.7 | |
BEZ | BENZOIC ACID | A | 1HZ4 | 0.7 | |
BEZ | BENZOIC ACID | A | 2Q38 | 0.7 | |
BEZ | BENZOIC ACID | A,B,C,D | 1UUJ | 0.7 | |
BEZ | BENZOIC ACID | A,B | 2QL8 | 0.7 | |
BEZ | BENZOIC ACID | A | 2Q0I | 0.7 | |
BEZ | BENZOIC ACID | A,B | 1S8F | 0.7 | |
BEZ | BENZOIC ACID | D,E,F,G,H | 1DJR | 0.7 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H,I | 1ONI | 0.7 | |
BEZ | BENZOIC ACID | A,B,C,D | 1I7Q | 0.7 | |
BEZ | BENZOIC ACID | A,B,C,D | 2RHM | 0.7 | |
BEZ | BENZOIC ACID | A,B | 2F78 | 0.7 | |
BEZ | BENZOIC ACID | A,B | 2VL2 | 0.7 | |
BEZ | BENZOIC ACID | A | 1HD2 | 0.7 | |
BEZ | BENZOIC ACID | A | 1JU4 | 0.7 | |
BEZ | BENZOIC ACID | H,L | 2AJY | 0.7 | |
BEZ | BENZOIC ACID | A,B,C | 3GV1 | 0.7 | |
BEZ | BENZOIC ACID | A | 2Q6U | 0.7 | |
BEZ | BENZOIC ACID | A,B | 1VE9 | 0.7 | |
BEZ | BENZOIC ACID | A,B | 1S9A | 0.7 | |
BEZ | BENZOIC ACID | H,L,M | 1OP3 | 0.7 | |
BEZ | BENZOIC ACID | A | 1W9E | 0.7 | |
BEZ | BENZOIC ACID | A,B,C,D | 2V2G | 0.7 | |
BEZ | BENZOIC ACID | H,L | 2AK1 | 0.7 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H | 2V41 | 0.7 | |
BEZ | BENZOIC ACID | A,B | 1GYX | 0.7 | |
BEZ | BENZOIC ACID | A | 1V1T | 0.7 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1YAJ | 0.7 | |
BEZ | BENZOIC ACID | A,B | 1HKQ | 0.7 | |
BEZ | BENZOIC ACID | H,L | 1RUK | 0.7 | |
BEZ | BENZOIC ACID | A | 2Q1B | 0.7 | |
BEZ | BENZOIC ACID | H,L | 1RUM | 0.7 | |
BEZ | BENZOIC ACID | A,B | 2F7A | 0.7 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H | 1KIF | 0.7 | |
BEZ | BENZOIC ACID | A,B | 2V7B | 0.7 | |
BEZ | BENZOIC ACID | H | 1NCW | 0.7 | |
BEZ | BENZOIC ACID | A,B | 1TMX | 0.7 | |
BEZ | BENZOIC ACID | A | 1URM | 0.7 | |
BEZ | BENZOIC ACID | A | 1W9O | 0.7 | |
BEZ | BENZOIC ACID | A,B,C,D | 1GXS | 0.7 | |
BEZ | BENZOIC ACID | H | 1RUP | 0.7 | |
BEZ | BENZOIC ACID | A,B,C,D | 1KQB | 0.7 | |
BEZ | BENZOIC ACID | A | 2Q9R | 0.7 | |
BEZ | BENZOIC ACID | D,H | 2OK6 | 0.7 | |
BEZ | BENZOIC ACID | A,B | 2Q0J | 0.7 | |
HCI | HYDROCINNAMIC ACID | A,B | 1BXG | 0.78 | |
HCI | HYDROCINNAMIC ACID | A,B | 1TOG | 0.78 | |
HCI | HYDROCINNAMIC ACID | A,B | 1V2F | 0.78 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AHX | 0.78 | |
HCI | HYDROCINNAMIC ACID | A | 1TOI | 0.78 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.78 | |
HCI | HYDROCINNAMIC ACID | A | 1TOJ | 0.78 | |
S1A | SORAPHEN A | A,B | 3GID | 0.7 | |
S1A | SORAPHEN A | A,B,C | 1W96 | 0.7 | |
BTP | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.72 | |
CLT | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.78 | |
CLT | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.78 | |
CLT | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.78 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.74 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.74 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.74 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.74 | |
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 1F2W | 0.7 | |
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 2F14 | 0.7 | |
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 1BV3 | 0.7 | |
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 2AW1 | 0.7 | |
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 1ZE8 | 0.7 | |
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.71 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.74 | |
PHQ | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.74 | |
4CB | 4-CARBOXYPHENYLBORONIC ACID | A,B | 1KDW | 0.71 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.76 | |
ISA | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A | 1NX3 | 0.71 | |
ISA | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A,B | 1ALW | 0.71 | |
MBO | MERCURIBENZOIC ACID | A | 2QO8 | 0.7 | |
MBO | MERCURIBENZOIC ACID | A | 1LUG | 0.7 | |
MBO | MERCURIBENZOIC ACID | A | 2HOC | 0.7 | |
MBO | MERCURIBENZOIC ACID | A | 3EFI | 0.7 | |
MBO | MERCURIBENZOIC ACID | A | 3BL0 | 0.7 | |
MBO | MERCURIBENZOIC ACID | A,B,C,D,E,F | 1NAQ | 0.7 | |
MBO | MERCURIBENZOIC ACID | A | 3CAJ | 0.7 | |
MBO | MERCURIBENZOIC ACID | A | 1DR7 | 0.7 | |
MBO | MERCURIBENZOIC ACID | A | 2HL4 | 0.7 | |
MBO | MERCURIBENZOIC ACID | A | 2GD8 | 0.7 | |
MBO | MERCURIBENZOIC ACID | A | 2QP6 | 0.7 | |
MBO | MERCURIBENZOIC ACID | A | 2HD6 | 0.7 | |
MBO | MERCURIBENZOIC ACID | A | 3C7P | 0.7 | |
MBO | MERCURIBENZOIC ACID | A,B | 2JHN | 0.7 | |
MBO | MERCURIBENZOIC ACID | A | 1DR6 | 0.7 | |
MBO | MERCURIBENZOIC ACID | A | 2HNC | 0.7 | |
MBO | MERCURIBENZOIC ACID | A | 2QOA | 0.7 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.76 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.76 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.76 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.76 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.76 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.76 | |
791 | 2-PHENYLMALONIC ACID | A | 1O4P | 0.71 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.75 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.75 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 0.75 | |
CVB | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | A,B | 1KE0 | 0.76 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.74 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.74 | |
BZS | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.74 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.72 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.72 | |
RMN | (R)-MANDELIC ACID | A | 1MDL | 0.72 | |
RMN | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.72 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.73 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.73 | |
4MA | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.7 | |
NIU | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.74 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.76 |