Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00442096
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 |
SMA![]() | STIGMATELLIN A | A,C,D,E,N,P, Q,R | 3H1I | 0.71 | ![]() |
SMA![]() | STIGMATELLIN A | A,B,C,D,E,F, G,O,P,Q,R,S,T | 1PPJ | 0.71 | ![]() |
SMA![]() | STIGMATELLIN A | A,C,D,E,L,N, O,P,W | 3CXH | 0.71 | ![]() |
SMA![]() | STIGMATELLIN A | C,D,E,P,Q,R | 1ZRT | 0.71 | ![]() |
SMA![]() | STIGMATELLIN A | C,H,L,M | 2JBL | 0.71 | ![]() |
SMA![]() | STIGMATELLIN A | A,B,C,D,E,F, G,I,N,O,P,Q, R,S,T,U,V,W | 2A06 | 0.71 | ![]() |
SMA![]() | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L | 2QJP | 0.71 | ![]() |
SMA![]() | STIGMATELLIN A | A,C,D,E | 1KB9 | 0.71 | ![]() |
SMA![]() | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2QJK | 0.71 | ![]() |
SMA![]() | STIGMATELLIN A | A,B,C,D,E,F, G,N,O,P,Q,R, S,T | 1PP9 | 0.71 | ![]() |
SMA![]() | STIGMATELLIN A | C,D,E | 2IBZ | 0.71 | ![]() |
SMA![]() | STIGMATELLIN A | A,C,D,E,L,N, O,P,W | 3CX5 | 0.71 | ![]() |
SMA![]() | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2FYN | 0.71 | ![]() |
SMA![]() | STIGMATELLIN A | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R | 2QJY | 0.71 | ![]() |
SMA![]() | STIGMATELLIN A | C,D,E | 1EZV | 0.71 | ![]() |
SMA![]() | STIGMATELLIN A | C,D,E,N,O,P,W | 1KYO | 0.71 | ![]() |
SMA![]() | STIGMATELLIN A | A,C,D,E,G,N, P,Q,R,S | 3H1J | 0.71 | ![]() |
SMA![]() | STIGMATELLIN A | C,D,E | 1SQX | 0.71 | ![]() |
A18![]() | 5-(2-CHLOROBENZYL)-2-FUROIC ACID | A | 2Q96 | 0.71 | ![]() |
23A![]() | 2,3-DIHYDROXYBENZALDEHYDE | A,B,C,D | 2DVX | 0.74 | ![]() |
FRR![]() | (3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY- 14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO- 1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)- DIONE | A | 2E14 | 0.72 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.72 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.72 | ![]() |
268![]() | 2-phenoxyethanol | A | 2RBR | 0.7 | ![]() |
AGI![]() | 5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one | A,B,C,D,E,F | 3CF9 | 0.71 | ![]() |
3HB![]() | 3-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCB | 0.72 | ![]() |
3HB![]() | 3-HYDROXYBENZOIC ACID | A | 2DKH | 0.72 | ![]() |
B21![]() | 5-(2-METHOXYPHENYL)-2-FUROIC ACID | A | 2Q93 | 0.74 | ![]() |
8MO![]() | METHOXSALEN | A,B,C,D | 1Z11 | 0.71 | ![]() |
MPP![]() | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.74 | ![]() |
4BR![]() | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.72 | ![]() |
697![]() | 5-HYDROXY-2-(4-HYDROXYPHENYL)-1- BENZOFURAN-7-CARBONITRILE | A,B | 1X76 | 0.71 | ![]() |
VXX![]() | VANILLATE | A,B | 1WB6 | 0.77 | ![]() |
DH2![]() | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.71 | ![]() |
DH2![]() | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP6 | 0.71 | ![]() |
FC3![]() | 5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID | A | 2EVC | 0.73 | ![]() |
BHF![]() | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.72 | ![]() |
300![]() | 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE | A | 1O41 | 0.8 | ![]() |
ZHZ![]() | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.72 | ![]() |
NOM![]() | 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO- 1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE- 2,6,11-TRIONE | A | 1N5V | 0.71 | ![]() |
DBA![]() | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.71 | ![]() |
SXX![]() | SINAPINATE | A,B | 1WB4 | 0.7 | ![]() |
AC6![]() | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.7 | ![]() |
AC6![]() | P-HYDROXYACETOPHENONE | X | 2O48 | 0.7 | ![]() |
BZM![]() | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.72 | ![]() |
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 | ![]() |
YRG![]() | (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | A | 3CDP | 0.71 | ![]() |
BZF![]() | BENZOFURAN | A | 182L | 0.8 | ![]() |
244![]() | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X78 | 0.71 | ![]() |
244![]() | [5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE | A,B | 1X7E | 0.71 | ![]() |
A04![]() | 5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID | A | 2Q94 | 0.71 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 2B96 | 0.78 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 2QUE | 0.78 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 1SV3 | 0.78 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A | 1O2E | 0.78 | ![]() |
ANN![]() | 4-METHOXYBENZOIC ACID | A,B,C,D | 3CBI | 0.78 | ![]() |
V55![]() | 4-hydroxy-3-methoxybenzaldehyde | B,D,E,F | 2VSS | 0.82 | ![]() |
V55![]() | 4-hydroxy-3-methoxybenzaldehyde | A,B,D,E,F | 2VSU | 0.82 | ![]() |
GEN![]() | GENISTEIN | A | 1QKM | 0.71 | ![]() |
GEN![]() | GENISTEIN | A,B | 1X7J | 0.71 | ![]() |
GEN![]() | GENISTEIN | A,B | 2QA8 | 0.71 | ![]() |
GEN![]() | GENISTEIN | A | 1X7R | 0.71 | ![]() |
SAK![]() | (2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one | A,B,C,D,E,F | 3D04 | 0.71 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 3GCL | 0.76 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 2QQT | 0.76 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 1TGM | 0.76 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 2G5J | 0.76 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 1OXR | 0.76 | ![]() |
AIN![]() | 2-(ACETYLOXY)BENZOIC ACID | A | 3HWY | 0.76 | ![]() |
HBA![]() | P-HYDROXYBENZALDEHYDE | A | 1K03 | 0.74 | ![]() |
HBA![]() | P-HYDROXYBENZALDEHYDE | A,B | 2VQ5 | 0.74 | ![]() |
HBA![]() | P-HYDROXYBENZALDEHYDE | A,B | 1EB9 | 0.74 | ![]() |
HBA![]() | P-HYDROXYBENZALDEHYDE | A | 2GQ9 | 0.74 | ![]() |
HBA![]() | P-HYDROXYBENZALDEHYDE | A,B | 1Z42 | 0.74 | ![]() |
HBA![]() | P-HYDROXYBENZALDEHYDE | A | 1OYB | 0.74 | ![]() |
CA2![]() | (1S,3R,4R,5S)-1,3,4-TRIHYDROXY- 5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 2BT4 | 0.71 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XOM | 0.7 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XLX | 0.7 | ![]() |
VII![]() | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID | A,B | 2GFK | 0.72 | ![]() |
262![]() | 2-FORMYLPHENYL DIHYDROGEN PHOSPHATE | A | 1O4D | 0.71 | ![]() |
DQH![]() | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | A | 1GP5 | 0.71 | ![]() |
DQH![]() | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE | D,F | 2C29 | 0.71 | ![]() |
FLN![]() | 2-PHENYL-4H-CHROMEN-4-ONE | A | 2G0L | 0.78 | ![]() |
ZZ1![]() | 4-METHYL-2H-CHROMEN-2-ONE | A | 2CIP | 0.72 | ![]() |
TOM![]() | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.71 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,C,E | 1KYZ | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1JT2 | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 6ATJ | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1GKL | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GWT | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B,C | 2BJH | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 1GW2 | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 3CBG | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 2BNJ | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A,B | 1UWC | 0.72 | ![]() |
FER![]() | 3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID | A | 7ATJ | 0.72 | ![]() |
SB8![]() | 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE | A | 2AIA | 0.75 | ![]() |
NAR![]() | NARINGENIN | A,B | 2UXU | 0.72 | ![]() |
NAR![]() | NARINGENIN | A | 2BRT | 0.72 | ![]() |
NAR![]() | NARINGENIN | A | 1CGK | 0.72 | ![]() |
NAR![]() | NARINGENIN | A,B | 1EYQ | 0.72 | ![]() |
AI7![]() | 3-(heptyloxy)benzoic acid | A,B | 2O3Z | 0.84 | ![]() |
MAX![]() | MATAIRESINOL | A | 2BGM | 0.72 | ![]() |
FU2![]() | FURFURAL | A,B,C,D | 1QXD | 0.73 | ![]() |
4FE![]() | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid | A | 3CBG | 0.72 | ![]() |
DFL![]() | 2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE | A,B | 1JEP | 0.77 | ![]() |
DTC![]() | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A | 2Z9C | 0.71 | ![]() |
DTC![]() | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B | 1OOQ | 0.71 | ![]() |
DTC![]() | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B,C,D,E,F, G,H | 2F1O | 0.71 | ![]() |
COU![]() | COUMARIN | A | 3CRB | 0.73 | ![]() |
COU![]() | COUMARIN | A | 2PMJ | 0.73 | ![]() |
COU![]() | COUMARIN | A | 2H90 | 0.73 | ![]() |
COU![]() | COUMARIN | A,B,C,D | 1Z10 | 0.73 | ![]() |
COU![]() | COUMARIN | A | 2PWB | 0.73 | ![]() |
GRR![]() | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.74 | ![]() |
PSN![]() | BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4K | 0.71 | ![]() |
219![]() | CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4I | 0.7 | ![]() |
8CM![]() | 8-HYDROXYCOUMARIN | A | 2H8Z | 0.7 | ![]() |
3MB![]() | 3-METHOXYBENZAMIDE | A | 3PAX | 0.78 | ![]() |
FX3![]() | 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose | A | 2VGD | 0.72 | ![]() |
DDC![]() | 7-HYDROXY-2-PHENYL-CHROMAN-4-ONE | A,B | 1FM8 | 0.73 | ![]() |
SYR![]() | SYRINGATE | A,B | 1WB5 | 0.74 | ![]() |
VNL![]() | 4-HYDROXY-3-METHOXYBENZOATE | A,B,C,D | 2AHC | 0.76 | ![]() |
VNL![]() | 4-HYDROXY-3-METHOXYBENZOATE | A | 1XLR | 0.76 | ![]() |
FCD![]() | 5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID | A | 1XNZ | 0.71 | ![]() |
FUX![]() | 5-HYDROXYMETHYL-FURFURAL | A,B,C,D | 1QXE | 0.73 | ![]() |
DFV![]() | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | B,C | 1JX1 | 0.73 | ![]() |
DFV![]() | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1JX0 | 0.73 | ![]() |
DFV![]() | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1FM7 | 0.73 | ![]() |
TON![]() | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.71 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3B3K | 0.72 | ![]() |
LRG![]() | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | A | 3D6D | 0.72 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2QZZ | 0.7 | ![]() |
EMF![]() | ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | A,B | 2R2G | 0.7 | ![]() |
ERD![]() | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE | D,F | 2NNL | 0.72 | ![]() |
397![]() | 2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL | A,B | 1U9E | 0.75 | ![]() |
C17![]() | 7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE | A,B | 2V60 | 0.71 | ![]() |
BRZ![]() | 6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY- 1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2- G]CHROMEN-7-ONE | C | 1K3T | 0.71 | ![]() |