Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00052714
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 |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.84 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.79 | |
BFL | A,B | 1Q4G | 0.81 | ||
34D | 3,5-DIHYDROXYBENZOATE | A,B | 2BX7 | 0.7 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 2BXE | 0.78 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 3D2T | 0.78 | |
KPV | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.74 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZFK | 0.85 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZFQ | 0.85 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1Z9Y | 0.85 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZH9 | 0.85 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZGE | 0.85 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZGF | 0.85 | |
FBC | A,B | 2B9A | 0.88 | ||
OAL | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.75 | |
DIC | 3,4-DICHLOROISOCOUMARIN | A | 1DIC | 0.75 | |
BHC | BENZENE HEXACARBOXYLIC ACID | A,B,C,D | 1BQ4 | 0.75 | |
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.83 | |
UIN | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.73 | |
CP5 | (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE | A | 1SCW | 0.74 | |
OSB | 2-SUCCINYLBENZOATE | A | 1FHV | 0.87 | |
OSB | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.87 | |
OSB | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.87 | |
BIP | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.74 | |
CLT | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.75 | |
CLT | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.75 | |
CLT | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.75 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.71 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.71 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.71 | |
ADL | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.74 | |
C0E | 3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid | A | 2RHW | 0.71 | |
3BZ | 3-chlorobenzoate | X | 2QVZ | 0.78 | |
3BZ | 3-chlorobenzoate | X | 2QVX | 0.78 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.77 | |
IHB | 3-IODO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCI | 0.73 | |
TMM | 1,3,5-BENZENETRICARBOXYLIC ACID | A,B,C,D | 1SDL | 0.84 | |
TMM | 1,3,5-BENZENETRICARBOXYLIC ACID | A,B,C,D | 1SDK | 0.84 | |
RMN | (R)-MANDELIC ACID | A | 1MDL | 0.8 | |
RMN | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.8 | |
DIU | 2-HYDROXY-3,5-DIIODO-BENZOIC ACID | A,B | 3B56 | 0.72 | |
DIU | 2-HYDROXY-3,5-DIIODO-BENZOIC ACID | A | 2BXL | 0.72 | |
BJP | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.75 | |
PIC | 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID | A | 1BZJ | 0.82 | |
FHI | A,B | 1Y1D | 0.76 | ||
174 | 4-CHLORO-BENZOIC ACID | X | 3DLP | 0.78 | |
174 | 4-CHLORO-BENZOIC ACID | X | 1T5D | 0.78 | |
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 | 0.74 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.74 | |
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 | 0.74 | |
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 | 0.74 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.74 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.74 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.74 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.74 | |
AC6 | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.74 | |
AC6 | P-HYDROXYACETOPHENONE | X | 2O48 | 0.74 | |
BM6 | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A | 1MVC | 0.75 | |
BM6 | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A,C,E,G | 1MZN | 0.75 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.82 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.82 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.75 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.9 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.9 | |
BEZ | BENZOIC ACID | A,B | 2F8D | 0.86 | |
BEZ | BENZOIC ACID | A,B | 1A8U | 0.86 | |
BEZ | BENZOIC ACID | A,B | 1REE | 0.86 | |
BEZ | BENZOIC ACID | A | 1L7Q | 0.86 | |
BEZ | BENZOIC ACID | A | 1I69 | 0.86 | |
BEZ | BENZOIC ACID | H,L | 1RUL | 0.86 | |
BEZ | BENZOIC ACID | A,B | 3CCF | 0.86 | |
BEZ | BENZOIC ACID | A | 1W9Q | 0.86 | |
BEZ | BENZOIC ACID | A,B,G,J | 2DU8 | 0.86 | |
BEZ | BENZOIC ACID | H,L | 1RUA | 0.86 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H | 1H4O | 0.86 | |
BEZ | BENZOIC ACID | H,L | 1RU9 | 0.86 | |
BEZ | BENZOIC ACID | A,B,C,D | 2V32 | 0.86 | |
BEZ | BENZOIC ACID | A | 2QMQ | 0.86 | |
BEZ | BENZOIC ACID | A | 1UKB | 0.86 | |
BEZ | BENZOIC ACID | A,B | 1RED | 0.86 | |
BEZ | BENZOIC ACID | A,B | 1OC3 | 0.86 | |
BEZ | BENZOIC ACID | A,B | 1REF | 0.86 | |
BEZ | BENZOIC ACID | A,B | 2O02 | 0.86 | |
BEZ | BENZOIC ACID | A,B | 2VJ1 | 0.86 | |
BEZ | BENZOIC ACID | A,B,C | 1WSP | 0.86 | |
BEZ | BENZOIC ACID | A | 1HZ4 | 0.86 | |
BEZ | BENZOIC ACID | A | 2Q38 | 0.86 | |
BEZ | BENZOIC ACID | A,B,C,D | 1UUJ | 0.86 | |
BEZ | BENZOIC ACID | A,B | 2QL8 | 0.86 | |
BEZ | BENZOIC ACID | A | 2Q0I | 0.86 | |
BEZ | BENZOIC ACID | A,B | 1S8F | 0.86 | |
BEZ | BENZOIC ACID | D,E,F,G,H | 1DJR | 0.86 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H,I | 1ONI | 0.86 | |
BEZ | BENZOIC ACID | A,B,C,D | 1I7Q | 0.86 | |
BEZ | BENZOIC ACID | A,B,C,D | 2RHM | 0.86 | |
BEZ | BENZOIC ACID | A,B | 2F78 | 0.86 | |
BEZ | BENZOIC ACID | A,B | 2VL2 | 0.86 | |
BEZ | BENZOIC ACID | A | 1HD2 | 0.86 | |
BEZ | BENZOIC ACID | A | 1JU4 | 0.86 | |
BEZ | BENZOIC ACID | H,L | 2AJY | 0.86 | |
BEZ | BENZOIC ACID | A,B,C | 3GV1 | 0.86 | |
BEZ | BENZOIC ACID | A | 2Q6U | 0.86 | |
BEZ | BENZOIC ACID | A,B | 1VE9 | 0.86 | |
BEZ | BENZOIC ACID | A,B | 1S9A | 0.86 | |
BEZ | BENZOIC ACID | H,L,M | 1OP3 | 0.86 | |
BEZ | BENZOIC ACID | A | 1W9E | 0.86 | |
BEZ | BENZOIC ACID | A,B,C,D | 2V2G | 0.86 | |
BEZ | BENZOIC ACID | H,L | 2AK1 | 0.86 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H | 2V41 | 0.86 | |
BEZ | BENZOIC ACID | A,B | 1GYX | 0.86 | |
BEZ | BENZOIC ACID | A | 1V1T | 0.86 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1YAJ | 0.86 | |
BEZ | BENZOIC ACID | A,B | 1HKQ | 0.86 | |
BEZ | BENZOIC ACID | H,L | 1RUK | 0.86 | |
BEZ | BENZOIC ACID | A | 2Q1B | 0.86 | |
BEZ | BENZOIC ACID | H,L | 1RUM | 0.86 | |
BEZ | BENZOIC ACID | A,B | 2F7A | 0.86 | |
BEZ | BENZOIC ACID | A,B,C,D,E,F, G,H | 1KIF | 0.86 | |
BEZ | BENZOIC ACID | A,B | 2V7B | 0.86 | |
BEZ | BENZOIC ACID | H | 1NCW | 0.86 | |
BEZ | BENZOIC ACID | A,B | 1TMX | 0.86 | |
BEZ | BENZOIC ACID | A | 1URM | 0.86 | |
BEZ | BENZOIC ACID | A | 1W9O | 0.86 | |
BEZ | BENZOIC ACID | A,B,C,D | 1GXS | 0.86 | |
BEZ | BENZOIC ACID | H | 1RUP | 0.86 | |
BEZ | BENZOIC ACID | A,B,C,D | 1KQB | 0.86 | |
BEZ | BENZOIC ACID | A | 2Q9R | 0.86 | |
BEZ | BENZOIC ACID | D,H | 2OK6 | 0.86 | |
BEZ | BENZOIC ACID | A,B | 2Q0J | 0.86 | |
FHB | 3-FLUORO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCF | 0.73 | |
G50 | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.71 | |
TTB | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.86 | |
PSN | BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4K | 0.74 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | H,I | 1A2C | 0.73 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C | 1CA7 | 0.73 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C,D | 3GGO | 0.73 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2FR9 | 0.71 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A,B | 1EEN | 0.71 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2HGZ | 0.71 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2FRB | 0.71 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | B,C,D | 2VK0 | 0.74 | |
MPB | 4-HYDROXY-BENZOIC ACID METHYL ESTER | A,B,D | 3MTH | 0.74 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 2I2Z | 0.74 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B,C | 1FIQ | 0.74 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 2I30 | 0.74 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1PTH | 0.74 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3DEU | 0.74 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B,C,D | 2E1Q | 0.74 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3HGX | 0.74 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 3BPX | 0.74 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 1WYG | 0.74 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 1JGS | 0.74 | |
SAL | 2-HYDROXYBENZOIC ACID | X | 1M6E | 0.74 | |
SAL | 2-HYDROXYBENZOIC ACID | A | 3B9M | 0.74 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1FO4 | 0.74 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 1Y7I | 0.74 | |
SAL | 2-HYDROXYBENZOIC ACID | A,B | 2FN1 | 0.74 | |
EMT | 2-(ETHYLMERCURI-THIO)-BENZOIC ACID | A,B | 1KDG | 0.81 | |
EMT | 2-(ETHYLMERCURI-THIO)-BENZOIC ACID | A,B,C,D | 1O9L | 0.81 | |
254 | 6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FD0 | 0.75 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.75 | |
OAC | TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE | C | 3GCH | 0.72 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.73 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.73 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.75 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.75 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.75 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.75 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.75 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.75 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.72 | |
ANN | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.72 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.72 | |
ANN | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.72 | |
ANN | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.72 | |
26C | A,B | 2F7I | 0.88 | ||
3CA | A,B | 2B77 | 0.73 | ||
MCG | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | A,B | 1ISS | 0.75 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.72 | |
PAC | 2-PHENYLACETIC ACID | B | 1PNL | 0.79 | |
PAC | 2-PHENYLACETIC ACID | B | 1K5Q | 0.79 | |
PAC | 2-PHENYLACETIC ACID | B | 1FXH | 0.79 | |
PAC | 2-PHENYLACETIC ACID | A | 2ISF | 0.79 | |
PAC | 2-PHENYLACETIC ACID | A | 2INE | 0.79 | |
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 1F2W | 0.86 | |
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 2F14 | 0.86 | |
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 1BV3 | 0.86 | |
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 2AW1 | 0.86 | |
HGB | 4-(HYDROXYMERCURY)BENZOIC ACID | A | 1ZE8 | 0.86 | |
SDN | [(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid | A,B | 3B6C | 0.71 | |
156 | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.85 | |
IBP | IBUPROFEN | A | 3FKX | 0.77 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.77 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.77 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.77 | |
IBP | IBUPROFEN | A | 2PWS | 0.77 | |
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 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.7 | |
201 | 3-AMIDO-5-BIPHENYL-BENZOIC ACID | A | 2B0M | 0.77 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B | 2TPL | 0.75 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B,C,D | 3GGP | 0.75 | |
1NH | (2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE | B | 1O1S | 0.75 | |
GRE | 2,6-DIHYDROXYBENZOIC ACID | A,B,C,D | 2DVU | 0.7 | |
HCC | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.71 | |
299 | 2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE | A | 1O4E | 0.71 | |
B3I | 2,3,5-TRIIODOBENZOIC ACID | A | 1BKE | 0.8 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.75 | |
219 | CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4I | 0.72 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.8 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.8 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.8 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.8 | |
MBO | MERCURIBENZOIC ACID | A | 2QO8 | 0.86 | |
MBO | MERCURIBENZOIC ACID | A | 1LUG | 0.86 | |
MBO | MERCURIBENZOIC ACID | A | 2HOC | 0.86 | |
MBO | MERCURIBENZOIC ACID | A | 3EFI | 0.86 | |
MBO | MERCURIBENZOIC ACID | A | 3BL0 | 0.86 | |
MBO | MERCURIBENZOIC ACID | A,B,C,D,E,F | 1NAQ | 0.86 | |
MBO | MERCURIBENZOIC ACID | A | 3CAJ | 0.86 | |
MBO | MERCURIBENZOIC ACID | A | 1DR7 | 0.86 | |
MBO | MERCURIBENZOIC ACID | A | 2HL4 | 0.86 | |
MBO | MERCURIBENZOIC ACID | A | 2GD8 | 0.86 | |
MBO | MERCURIBENZOIC ACID | A | 2QP6 | 0.86 | |
MBO | MERCURIBENZOIC ACID | A | 2HD6 | 0.86 | |
MBO | MERCURIBENZOIC ACID | A | 3C7P | 0.86 | |
MBO | MERCURIBENZOIC ACID | A,B | 2JHN | 0.86 | |
MBO | MERCURIBENZOIC ACID | A | 1DR6 | 0.86 | |
MBO | MERCURIBENZOIC ACID | A | 2HNC | 0.86 | |
MBO | MERCURIBENZOIC ACID | A | 2QOA | 0.86 | |
PMA | PYROMELLITIC ACID | A,B | 1FUP | 0.81 | |
FE3 | 4-(2-aminoethyl)-3-chlorobenzoic acid | A,B | 2K1Q | 0.72 | |
HHH | (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid | A,B | 2R5V | 0.72 | |
FLP | FLURBIPROFEN | A,B,C,D | 3PGH | 0.79 | |
FLP | FLURBIPROFEN | A,B | 1CQE | 0.79 | |
FLP | FLURBIPROFEN | A,B | 1EQH | 0.79 | |
FLP | FLURBIPROFEN | A,B | 2AYL | 0.79 | |
FLP | FLURBIPROFEN | A | 1DVT | 0.79 | |
FLP | FLURBIPROFEN | A | 1R9O | 0.79 | |
OX1 | H,Y | 1LO2 | 0.74 | ||
LLG | 2-aminoethyl naphthalen-1-ylacetate | A | 3BC4 | 0.72 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CJ4 | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1DOB | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PXB | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A,B | 1G1B | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A,B | 1YKJ | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1IUV | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PBE | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCC | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PDH | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | B | 2BUW | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CC4 | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CC6 | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1IUW | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1FW9 | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1G81 | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BGJ | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1IUX | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CJ3 | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1D7L | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 2PHH | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BGN | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PXA | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1DOC | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1K0I | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BKW | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1JD3 | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1PXC | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1TT8 | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1CJ2 | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A,B | 1Q4S | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | A | 1BF3 | 0.75 | |
PHB | P-HYDROXYBENZOIC ACID | B | 2BUR | 0.75 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 1K03 | 0.76 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 2VQ5 | 0.76 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 1EB9 | 0.76 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 2GQ9 | 0.76 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 1Z42 | 0.76 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 1OYB | 0.76 | |
4MA | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.85 | |
M5P | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.71 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.74 | |
AKV | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.71 | |
791 | 2-PHENYLMALONIC ACID | A | 1O4P | 0.76 | |
TOH | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IME | 0.71 | |
TOH | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IMD | 0.71 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.85 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.85 | |
BJI | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERM | 0.74 | |
HC4 | A | 1TS6 | 0.71 | ||
HC4 | A | 3PHY | 0.71 | ||
HC4 | A | 3PYP | 0.71 | ||
HC4 | A | 1T1C | 0.71 | ||
HC4 | A | 1OT6 | 0.71 | ||
HC4 | A | 1TS0 | 0.71 | ||
HC4 | A | 1T1A | 0.71 | ||
HC4 | A | 2PYP | 0.71 | ||
HC4 | A | 2ZOI | 0.71 | ||
HC4 | A | 1OTI | 0.71 | ||
HC4 | A | 1XFQ | 0.71 | ||
HC4 | A | 2D01 | 0.71 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7B | 0.71 | ||
HC4 | A | 2ZOH | 0.71 | ||
HC4 | A | 1GSW | 0.71 | ||
HC4 | A | 2QJ7 | 0.71 | ||
HC4 | A | 1F9I | 0.71 | ||
HC4 | X | 1UWP | 0.71 | ||
HC4 | A | 2PHY | 0.71 | ||
HC4 | A | 1T1B | 0.71 | ||
HC4 | A | 1F98 | 0.71 | ||
HC4 | A | 1T19 | 0.71 | ||
HC4 | X | 1UWN | 0.71 | ||
HC4 | A,B,C,D,E,F, G,H | 2O7F | 0.71 | ||
HC4 | A | 1UGU | 0.71 | ||
HC4 | A | 1TS8 | 0.71 | ||
HC4 | A,B | 1OTD | 0.71 | ||
HC4 | A | 1OTE | 0.71 | ||
HC4 | A | 1GSX | 0.71 | ||
HC4 | A | 1TS7 | 0.71 | ||
HC4 | A | 2PYR | 0.71 | ||
HC4 | A | 1S4S | 0.71 | ||
HC4 | A | 1GSV | 0.71 | ||
HC4 | A | 2I9V | 0.71 | ||
HC4 | A | 2QWS | 0.71 | ||
HC4 | A | 1XFN | 0.71 | ||
HC4 | A | 1S4R | 0.71 | ||
HC4 | A | 1T18 | 0.71 | ||
HC4 | A | 1OTA | 0.71 | ||
HC4 | A | 1D7E | 0.71 | ||
HC4 | A | 1S1Z | 0.71 | ||
HC4 | A,B,C | 1MZU | 0.71 | ||
HC4 | A,B | 1ODV | 0.71 | ||
HC4 | A,B | 2J3J | 0.71 | ||
HC4 | A | 2QJ5 | 0.71 | ||
HC4 | A | 1OTB | 0.71 | ||
HC4 | A | 2D02 | 0.71 | ||
HC4 | A | 1OT9 | 0.71 | ||
HC4 | A | 1NWZ | 0.71 | ||
HC4 | A | 1S1Y | 0.71 | ||
3HB | 3-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCB | 0.76 | |
3HB | 3-HYDROXYBENZOIC ACID | A | 2DKH | 0.76 | |
4HP | 4-HYDROXYPHENYLACETATE | A,B,C,D | 2JBT | 0.76 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYJ | 0.76 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYM | 0.76 | |
4HP | 4-HYDROXYPHENYLACETATE | B | 1AI6 | 0.76 | |
4HP | 4-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCG | 0.76 | |
34Z | 3,4-dichlorobenzoate | X | 2QVY | 0.74 | |
34Z | 3,4-dichlorobenzoate | X | 2QW0 | 0.74 | |
AFI | 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE | A,B | 1UUM | 0.73 | |
LOB | LOBELINE | A,B,C,D,E,F, G,H,I,J | 2BYS | 0.73 | |
4CB | 4-CARBOXYPHENYLBORONIC ACID | A,B | 1KDW | 0.85 | |
9TA | 1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE | A,B | 1FDG | 0.71 | |
HPX | (2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID | A,B,C,D | 2DSA | 0.74 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.72 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.72 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.77 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.77 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.71 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.79 | |
564 | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.81 | |
JUG | 5-hydroxynaphthalene-1,4-dione | A,B,C,D,E,F | 3B7J | 0.72 | |
PHT | PHTHALIC ACID | A,B,C | 2B7P | 0.86 | |
PHT | PHTHALIC ACID | A | 3C2V | 0.86 | |
PHT | PHTHALIC ACID | A,B,C,D,E,F | 1QPR | 0.86 | |
PHT | PHTHALIC ACID | A,B | 3C2R | 0.86 | |
R13 | 3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID | A | 2CBS | 0.71 | |
HPZ | (2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID | A | 2PUJ | 0.74 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.72 | |
HPK | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE | A | 2PUH | 0.72 | |
3HP | 3-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCE | 0.73 | |
GW5 | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID | A,B,C | 1R5K | 0.7 | |
I59 | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | A | 1O4G | 0.72 | |
HCI | HYDROCINNAMIC ACID | A,B | 1BXG | 0.76 | |
HCI | HYDROCINNAMIC ACID | A,B | 1TOG | 0.76 | |
HCI | HYDROCINNAMIC ACID | A,B | 1V2F | 0.76 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AHX | 0.76 | |
HCI | HYDROCINNAMIC ACID | A | 1TOI | 0.76 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.76 | |
HCI | HYDROCINNAMIC ACID | A | 1TOJ | 0.76 | |
OHP | (2-HYDROXYPHENYL)ACETIC ACID | A | 2INZ | 0.75 | |
295 | (2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid | A,B | 2RJR | 0.74 | |
C1E | (2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid | A | 2RHT | 0.72 | |
AI7 | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.72 | |
BP4 | BIPHENYL-4-YL-ACETALDEHYDE | A,B,E,F,G,H | 1MHW | 0.73 | |
BZQ | DIPHENYLMETHANONE | A,B | 1GT5 | 0.72 | |
BZQ | DIPHENYLMETHANONE | A,B | 1DZP | 0.72 | |
ELI | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.78 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.72 | |
MUF | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.7 | |
256 | PHENYL(SULFO)ACETIC ACID | A | 1O4Q | 0.7 | |
BTP | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.71 | |
R12 | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.71 | |
TRZ | TRAZEOLIDE | A | 1C12 | 0.73 | |
173 | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.79 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.8 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.7 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.7 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 0.7 | |
4FC | A | 1YSG | 0.89 | ||
HBX | benzaldehyde | A,B | 3GDN | 0.7 | |
2E3 | (2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid | A | 3FUG | 0.72 | |
184 | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.82 | |
NIU | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.73 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.72 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.72 | |
BZS | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.72 | |
789 | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE | A,B | 1ZAF | 0.74 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.79 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.79 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.79 | |
262 | 2-FORMYLPHENYL DIHYDROGEN PHOSPHATE | A | 1O4D | 0.7 | |
23A | 2,3-DIHYDROXYBENZALDEHYDE | A,B,C,D | 2DVX | 0.71 | |
AN1 | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.74 |