Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01774746
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 |
DM7![]() | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMR | 0.7 | ![]() |
DM7![]() | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMS | 0.7 | ![]() |
CC0![]() | (4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL- 4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}- ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID | A | 1IJR | 0.71 | ![]() |
DZN![]() | DAIDZIN | A,B,C,D,E,F, G,H | 2VLE | 0.71 | ![]() |
0EZ![]() | tert-butyl [(1S,2S)-1-benzyl-2- hydroxy-3-{[(8S,11R)-8-[(1R)-1- methylpropyl]-7,10-dioxo-2-oxa- 6,9-diazabicyclo[11.2.2]heptadeca- 1(15),13,16-trien-11-yl]amino}propyl]carbamate | A,B | 1MTR | 0.72 | ![]() |
32P![]() | 3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}- 5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE | A | 1TQF | 0.72 | ![]() |
C01![]() | (2S)-(4-ISOPROPYLPHENYL)[(2-METHYL- 3-OXO-5,7-DIPROPYL-2,3-DIHYDRO- 1,2-BENZISOXAZOL-6-YL)OXY]ACETATE | A | 1ZEO | 0.71 | ![]() |
DTC![]() | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A | 2Z9C | 0.7 | ![]() |
DTC![]() | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B | 1OOQ | 0.7 | ![]() |
DTC![]() | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE] | A,B,C,D,E,F, G,H | 2F1O | 0.7 | ![]() |
NOD![]() | N-ETHYLHYDROXY-DOXORUBICIN | A | 385D | 0.72 | ![]() |
MC1![]() | METHICILLIN ACYL-SERINE | A,B | 1MWU | 0.72 | ![]() |
CPB![]() | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1E1Y | 0.7 | ![]() |
CPB![]() | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A,B | 3BLR | 0.7 | ![]() |
CPB![]() | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1C8K | 0.7 | ![]() |
U03![]() | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.72 | ![]() |
MYU![]() | 3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O64 | 0.71 | ![]() |
SB8![]() | 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE | A | 2AIA | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 152D | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A,B,C,D | 1O0K | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1JO2 | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A,B | 308D | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1D33 | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 110D | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1D11 | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 427D | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 2D34 | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 3F8F | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1D10 | 0.71 | ![]() |
DM1![]() | DAUNOMYCIN | A | 1DA0 | 0.71 | ![]() |
BA1![]() | BALANOL | A | 1BX6 | 0.71 | ![]() |
GUM![]() | 4-METHYL-UMBELLIFERYL-N-ACETYL- CHITOBIOSE | A | 1BB7 | 0.71 | ![]() |
941![]() | 2-(4-{2-TERT-BUTOXYCARBONYLAMINO- 2-[4-(3-HYDROXY-2-METHOXYCARBONYL- PHENOXY)-BUTYLCARBAMOYL]-ETHYL}- PHENOXY)-MALONIC ACID | A | 1PYN | 0.81 | ![]() |
MYC![]() | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A,B,C,D | 3C1T | 0.71 | ![]() |
MYC![]() | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O63 | 0.71 | ![]() |
MYC![]() | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 1E90 | 0.71 | ![]() |
MYC![]() | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A,B,C,D | 2IOD | 0.71 | ![]() |
DM3![]() | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.71 | ![]() |
BVL![]() | (2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one | A | 2ZBH | 0.71 | ![]() |
AP1![]() | {3-[3-(3,4-DIMETHOXY-PHENYL)-1- (1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)- BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)- PROPYL]-PHENOXY}-ACETIC ACID | A,B | 1BL4 | 0.72 | ![]() |
DM6![]() | 4'-EPIDOXORUBICIN | A | 1D15 | 0.71 | ![]() |
DM6![]() | 4'-EPIDOXORUBICIN | A | 1D54 | 0.71 | ![]() |
DM6![]() | 4'-EPIDOXORUBICIN | A | 1D58 | 0.71 | ![]() |
DM6![]() | 4'-EPIDOXORUBICIN | A | 1QDA | 0.71 | ![]() |
DM2![]() | DOXORUBICIN | A | 2DR6 | 0.71 | ![]() |
DM2![]() | DOXORUBICIN | A | 1P20 | 0.71 | ![]() |
DM2![]() | DOXORUBICIN | A | 1I1E | 0.71 | ![]() |
DM2![]() | DOXORUBICIN | A | 151D | 0.71 | ![]() |
DM2![]() | DOXORUBICIN | A | 1D12 | 0.71 | ![]() |
DM2![]() | DOXORUBICIN | A | 1DA9 | 0.71 | ![]() |
LY2![]() | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE | A | 1YI3 | 0.72 | ![]() |
LY2![]() | 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE | A | 1E7V | 0.72 | ![]() |
MUS![]() | 4-METHYL-2-OXO-2H-CHROMEN-7-YL 5- (ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO- NON-2-ULOPYRANOSIDONIC ACID | A | 1S0J | 0.77 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | L | 1FLR | 0.71 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,B | 1N0S | 0.71 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | C,L | 1T66 | 0.71 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A | 1X9Q | 0.71 | ![]() |
FLU![]() | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,D | 2NMV | 0.71 | ![]() |
INX![]() | 2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)- 2-[(3-CARBOXYPROPANOYL)AMINO] - 3-PHENYLPROPANOYL}AMINO)-3-OXO- 3-(PENTYLAMINO)PROPYL]BENZOIC ACID | A | 1G7G | 0.76 | ![]() |
7CA![]() | 5,7-DIHYDROXY-2-(4-METHOXYPHENYL)- 8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN- 3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE | A | 2H44 | 0.72 | ![]() |
INZ![]() | 2-{4-[(2S)-2-[({[(1S)-1-CARBOXY- 2-PHENYLETHYL]AMINO}CARBONYL)AMINO]- 3-OXO-3-(PENTYLAMINO)PROPYL]PHENOXY}MALONIC ACID | A | 1G7F | 0.73 | ![]() |
TBH![]() | 5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)- AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}- 3-HYDROXY-3-PENTYLAMINO-PROPYL)- 2-CARBOXYMETHOXY-BENZOIC ACID | B | 1JF7 | 0.77 | ![]() |
DFV![]() | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | B,C | 1JX1 | 0.72 | ![]() |
DFV![]() | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1JX0 | 0.72 | ![]() |
DFV![]() | 7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE | A,B | 1FM7 | 0.72 | ![]() |
MFN![]() | N-[4,5,7-TRICARBOXYHEPTANOYL]-L- GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]- 3-FURYL}METHOXY)PHENYL]ETHYL}-D- GLUTAMINE | A,B,C,D | 2FHK | 0.71 | ![]() |
MFN![]() | N-[4,5,7-TRICARBOXYHEPTANOYL]-L- GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]- 3-FURYL}METHOXY)PHENYL]ETHYL}-D- GLUTAMINE | A,B,C,D | 2FHJ | 0.71 | ![]() |
418![]() | 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO- 3-{4-[(2-CARBOXY-PHENYL)-OXALYL- AMINO]-PHENYL}-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1PH0 | 0.73 | ![]() |
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 | ![]() |
RUT![]() | RUTIN | A,B | 1RY8 | 0.7 | ![]() |
FSE![]() | 3,7,3',4'-TETRAHYDROXYFLAVONE | B | 1XO2 | 0.73 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F | 3BXX | 0.72 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 2O3P | 0.72 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B | 2UXH | 0.72 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 1GP6 | 0.72 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 2C9Z | 0.72 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JJ2 | 0.72 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 3BPT | 0.72 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D,E,F | 3CF8 | 0.72 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B | 2HCK | 0.72 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A,B,C,D | 1H1I | 0.72 | ![]() |
QUE![]() | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | A | 1E8W | 0.72 | ![]() |
8MO![]() | METHOXSALEN | A,B,C,D | 1Z11 | 0.72 | ![]() |
HMO![]() | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 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 | 0.71 | ![]() |
BHP![]() | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7- PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID | A,B | 1J1A | 0.7 | ![]() |
FLQ![]() | N-[6-(ACETYLAMINO)HEXYL]-3',6'- DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN- 1,9'-XANTHENE]-6-CARBOXAMIDE | C | 2FDC | 0.71 | ![]() |
DDC![]() | 7-HYDROXY-2-PHENYL-CHROMAN-4-ONE | A,B | 1FM8 | 0.72 | ![]() |
SAK![]() | (2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one | A,B,C,D,E,F | 3D04 | 0.73 | ![]() |
MAR![]() | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1D36 | 0.7 | ![]() |
MAR![]() | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1R68 | 0.7 | ![]() |
MAR![]() | 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN | A | 1D35 | 0.7 | ![]() |
NOV![]() | NOVOBIOCIN | A,B | 1KIJ | 0.74 | ![]() |
NOV![]() | NOVOBIOCIN | A,B | 1S14 | 0.74 | ![]() |
NOV![]() | NOVOBIOCIN | A | 1AJ6 | 0.74 | ![]() |
PI6![]() | [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO- 2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA- 1(16),13(17),14-TRIEN-11-YLAMINO)- 2-HYDROXY-PROPYL] -CARBAMIC ACID TERT- BUTYL ESTER | A,B | 1B6M | 0.72 | ![]() |
L41![]() | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.76 | ![]() |
C18![]() | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]- 2H-CHROMEN-2-ONE | A,B | 2V61 | 0.72 | ![]() |
QSO![]() | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.74 | ![]() |
GEN![]() | GENISTEIN | A | 1QKM | 0.72 | ![]() |
GEN![]() | GENISTEIN | A,B | 1X7J | 0.72 | ![]() |
GEN![]() | GENISTEIN | A,B | 2QA8 | 0.72 | ![]() |
GEN![]() | GENISTEIN | A | 1X7R | 0.72 | ![]() |
AGI![]() | 5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one | A,B,C,D,E,F | 3CF9 | 0.73 | ![]() |
DRS![]() | (9S,12S)-9-(1-methylethyl)-7,10- dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca- 1(16),14,17-triene-12-carboxylic acid | A,B | 3BXS | 0.71 | ![]() |
WRR![]() | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.71 | ![]() |
MYF![]() | 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O65 | 0.7 | ![]() |
429![]() | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY- 3-HYDROXY-PHENYL)-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1QXK | 0.77 | ![]() |
KMP![]() | 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A,B,C,D | 1H1M | 0.75 | ![]() |
KMP![]() | 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2C1Z | 0.75 | ![]() |
886![]() | N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl- 4-yl}sulfonyl)-D-valine | A,B,C,D | 2RJP | 0.7 | ![]() |
WRS![]() | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.71 | ![]() |
ADF![]() | 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN- 1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}- 3-TERT-BUTYLBENZOIC ACID | A | 2G5P | 0.72 | ![]() |