Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005894
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 |
CIN | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.82 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.82 | |
OSB | 2-SUCCINYLBENZOATE | A | 1FHV | 0.76 | |
OSB | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.76 | |
OSB | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.76 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 1K03 | 0.7 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 2VQ5 | 0.7 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 1EB9 | 0.7 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 2GQ9 | 0.7 | |
HBA | P-HYDROXYBENZALDEHYDE | A,B | 1Z42 | 0.7 | |
HBA | P-HYDROXYBENZALDEHYDE | A | 1OYB | 0.7 | |
34D | 3,5-DIHYDROXYBENZOATE | A,B | 2BX7 | 0.7 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.72 | |
PHT | PHTHALIC ACID | A,B,C | 2B7P | 0.79 | |
PHT | PHTHALIC ACID | A | 3C2V | 0.79 | |
PHT | PHTHALIC ACID | A,B,C,D,E,F | 1QPR | 0.79 | |
PHT | PHTHALIC ACID | A,B | 3C2R | 0.79 | |
PMA | PYROMELLITIC ACID | A,B | 1FUP | 0.72 | |
IHB | 3-IODO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCI | 0.73 | |
FC2 | 5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID | A | 2EVM | 0.72 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.73 | |
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 | |
4MA | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.82 | |
4FC | A | 1YSG | 0.76 | ||
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B | 2TPL | 0.7 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B,C,D | 3GGP | 0.7 | |
3BZ | 3-chlorobenzoate | X | 2QVZ | 0.96 | |
3BZ | 3-chlorobenzoate | X | 2QVX | 0.96 | |
3CA | A,B | 2B77 | 0.75 | ||
FE3 | 4-(2-aminoethyl)-3-chlorobenzoic acid | A,B | 2K1Q | 0.82 | |
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 | |
CHB | 3-CHLORO-4-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCH | 0.82 | |
PHH | 4,5,6,7-TETRACHLORO-PHTHALIDE | A,B | 1G0N | 0.71 | |
HCI | HYDROCINNAMIC ACID | A,B | 1BXG | 0.7 | |
HCI | HYDROCINNAMIC ACID | A,B | 1TOG | 0.7 | |
HCI | HYDROCINNAMIC ACID | A,B | 1V2F | 0.7 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AHX | 0.7 | |
HCI | HYDROCINNAMIC ACID | A | 1TOI | 0.7 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.7 | |
HCI | HYDROCINNAMIC ACID | A | 1TOJ | 0.7 | |
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 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.7 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.7 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.7 | |
DIC | 3,4-DICHLOROISOCOUMARIN | A | 1DIC | 0.77 | |
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 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.72 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.72 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.72 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.72 | |
GRE | 2,6-DIHYDROXYBENZOIC ACID | A,B,C,D | 2DVU | 0.7 | |
B3I | 2,3,5-TRIIODOBENZOIC ACID | A | 1BKE | 0.8 | |
2CL | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IPW | 0.84 | |
2CL | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IS7 | 0.84 | |
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 | |
26C | A,B | 2F7I | 0.75 | ||
HSI | (3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID | A | 2Z2D | 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 | |
174 | 4-CHLORO-BENZOIC ACID | X | 3DLP | 0.94 | |
174 | 4-CHLORO-BENZOIC ACID | X | 1T5D | 0.94 | |
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 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5U | 0.79 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 3E6B | 0.79 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5X | 0.79 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 2H6B | 0.79 | |
3C4 | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | C | 3E6C | 0.79 | |
4HP | 4-HYDROXYPHENYLACETATE | A,B,C,D | 2JBT | 0.71 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYJ | 0.71 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYM | 0.71 | |
4HP | 4-HYDROXYPHENYLACETATE | B | 1AI6 | 0.71 | |
4HP | 4-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCG | 0.71 | |
34Z | 3,4-dichlorobenzoate | X | 2QVY | 0.93 | |
34Z | 3,4-dichlorobenzoate | X | 2QW0 | 0.93 | |
3HB | 3-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCB | 0.76 | |
3HB | 3-HYDROXYBENZOIC ACID | A | 2DKH | 0.76 | |
C2U | 3,5-dichloro-2-hydroxybenzoic acid | A | 3C3U | 0.8 | |
C2U | 3,5-dichloro-2-hydroxybenzoic acid | A | 3CV7 | 0.8 | |
AFI | 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE | A,B | 1UUM | 0.73 | |
4CB | 4-CARBOXYPHENYLBORONIC ACID | A,B | 1KDW | 0.85 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.73 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.73 | |
173 | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.76 | |
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 | |
TTB | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.71 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZFK | 0.87 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZFQ | 0.87 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1Z9Y | 0.87 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZH9 | 0.87 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZGE | 0.87 | |
BE7 | (4-CARBOXYPHENYL)(CHLORO)MERCURY | A | 1ZGF | 0.87 | |
EMT | 2-(ETHYLMERCURI-THIO)-BENZOIC ACID | A,B | 1KDG | 0.78 | |
EMT | 2-(ETHYLMERCURI-THIO)-BENZOIC ACID | A,B,C,D | 1O9L | 0.78 | |
C1E | (2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid | A | 2RHT | 0.72 | |
FBC | A,B | 2B9A | 0.75 | ||
TMM | 1,3,5-BENZENETRICARBOXYLIC ACID | A,B,C,D | 1SDL | 0.79 | |
TMM | 1,3,5-BENZENETRICARBOXYLIC ACID | A,B,C,D | 1SDK | 0.79 |