Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02355252
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 |
MC1 | METHICILLIN ACYL-SERINE | A,B | 1MWU | 0.7 | |
DEO | A,B | 1ROS | 0.73 | ||
NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.72 | |
NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.72 | |
903 | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-METHOXYCARBONYL-PHENYL}- 2-FLUORO-MALONIC ACID | A | 1O46 | 0.71 | |
M1S | (5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE | A | 2IWX | 0.71 | |
TDC | 5A,6-ANHYDROTETRACYCLINE | A | 2VKV | 0.7 | |
TDC | 5A,6-ANHYDROTETRACYCLINE | A | 2VPR | 0.7 | |
L41 | {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid | A,B | 3D5F | 0.73 | |
NCZ | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.74 | |
DM4 | 1-O-DEMETHYL-6-DEOXYDOXORUBICIN | A | 1D37 | 0.73 | |
BJP | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.73 | |
QSO | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.71 | |
PY9 | 4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol | A,B | 3EKR | 0.78 | |
CMQ | N~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)- 2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]- L-LEUCINAMIDE | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2FZS | 0.7 | |
DBS | 2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID | A,B,C | 1L6M | 0.71 | |
DBS | 2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID | A,B,C | 3CBC | 0.71 | |
DBS | 2-(2,3-DIHYDROXY-BENZOYLAMINO)- 3-HYDROXY-PROPIONIC ACID | A,B,C | 3BY0 | 0.71 | |
C01 | (2S)-(4-ISOPROPYLPHENYL)[(2-METHYL- 3-OXO-5,7-DIPROPYL-2,3-DIHYDRO- 1,2-BENZISOXAZOL-6-YL)OXY]ACETATE | A | 1ZEO | 0.76 | |
CHR | NEOCARZINOSTATIN-CHROMOPHORE | A | 1O5P | 0.74 | |
CHR | NEOCARZINOSTATIN-CHROMOPHORE | A,B | 1NCO | 0.74 | |
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 | 0.72 | |
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 | 2FHJ | 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 | |
DM7 | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMR | 0.72 | |
DM7 | 4'-DEOXY-4'-IODODOXORUBICIN | A | 1IMS | 0.72 | |
AI1 | N-BENZYL-3-(ALPHA-D-GALACTOS-1- YL)-BENZAMIDE | D,E,F,G,H,L, M,N,O,P | 1FD7 | 0.71 | |
485 | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]- (3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO- PYRAN-2-YL)- ACETIC ACID | A | 1JIL | 0.72 | |
HA2 | 6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]- 6-OXOHEXANOIC ACID) | A | 2VJ8 | 0.7 | |
TMS | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.76 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.71 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 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 | |
5PH | 5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)- 5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY- BENZOIC ACID | A | 1RWV | 0.72 | |
K55 | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.74 | |
NP5 | (5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE | A | 2IWU | 0.71 | |
BA1 | BALANOL | A | 1BX6 | 0.81 | |
EB4 | N,N',N''-[(3S,7S,11S)-2,6,10-trioxo- 1,5,9-trioxacyclododecane-3,7,11- triyl]tris(2,3-dihydroxybenzamide) | A,B,C | 3CMP | 0.73 | |
HMO | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.71 | |
ADL | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.7 | |
IZF | METHYL 2-{[5-({3-CHLORO-4-[(5S)- 1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN- 5-YL]-N-(PHENYLSULFONYL)-L-PHENYLALANYL}AMINO)PENTYL]OXY}- 6-HYDROXYBENZOATE | A | 2CNI | 0.71 | |
BJI | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERM | 0.71 | |
NOD | N-ETHYLHYDROXY-DOXORUBICIN | A | 385D | 0.73 | |
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 | 0.73 | |
AKV | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.74 | |
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 | |
HMY | (1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy- 3-methoxy-8-methyl-8,9,13,14,15,15a- hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine- 6,12(1aH)-dione | A,B | 3C9W | 0.73 | |
ZYA | BENZOYL-TYROSINE-ALANINE-METHYL KETONE | A | 1AIM | 0.74 | |
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 | |
BNR | BIS-DAUNORUBICIN | B | 1AMD | 0.71 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 1FHY | 0.73 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 204D | 0.73 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A,B | 2B2B | 0.73 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | B | 1FHZ | 0.73 | |
PSO | 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN | A | 203D | 0.73 | |
BHP | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7- PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID | A,B | 1J1A | 0.72 | |
OBE | 3-(3-HYDROXY-BENZOYLOXY)-8-METHYL- 8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID | H | 1RIV | 0.75 | |
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 | 0.72 | |
B8L | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | A | 1REK | 0.76 | |
C39 | N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)- 8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE | C,O | 2V12 | 0.71 | |
MGI | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.73 | |
IFA | A,B | 3FC8 | 0.78 | ||
AKY | A,B,C,D | 2IPI | 0.7 | ||
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 | 0.73 | |
AKT | 10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT) | A | 1Q0R | 0.72 | |
NLT | N-DODECANOYL-L-TYROSINE | A,B,C,D,E,F, G,H | 2G0B | 0.7 | |
CPB | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1E1Y | 0.71 | |
CPB | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A,B | 3BLR | 0.71 | |
CPB | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY- 8-(3-HYDROXY-1-METHYL-PIPERIDIN- 4-YL)-4H-BENZOPYRAN-4-ONE | A | 1C8K | 0.71 | |
ADF | 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN- 1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}- 3-TERT-BUTYLBENZOIC ACID | A | 2G5P | 0.74 | |
ERT | METHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY- 7-METHOXY-6,11-DIOXO-4-{[2,3,6- TRIDEOXY-3-(DIMETHYLAMINO)-BETA- D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H- TETRACENE-1-CARBOXYLATE | A,B | 1TW2 | 0.71 | |
ERT | METHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY- 7-METHOXY-6,11-DIOXO-4-{[2,3,6- TRIDEOXY-3-(DIMETHYLAMINO)-BETA- D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H- TETRACENE-1-CARBOXYLATE | A,B | 1TW3 | 0.71 | |
NP4 | (5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE | A | 2IWS | 0.71 | |
IFB | N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE | A,B | 3FCB | 0.76 | |
BJH | 1(R)-1-ACETAMIDO-2-(3-CARBOXY-2- HYDROXYPHENYL)ETHYL BORONIC ACID | A | 1ERQ | 0.79 | |
ZCT | A,B,C,D,E,F, G,H | 3B6A | 0.71 | ||
FLQ | N-[6-(ACETYLAMINO)HEXYL]-3',6'- DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN- 1,9'-XANTHENE]-6-CARBOXAMIDE | C | 2FDC | 0.83 | |
401 | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.74 | |
B1L | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-HYDROXYBENZOATE | A | 1REJ | 0.75 | |
DK2 | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]- 1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID | A,B | 2PU2 | 0.71 | |
DM3 | 6-DEOXYDAUNOMYCIN | A | 1D14 | 0.72 | |
P2N | (5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE | A | 2CGF | 0.71 | |
44D | 7-[5-(4-AMINO-5-HYDROXY-6-METHYL- TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY- 6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]- 6,9,11-TRIHYDROXY-9-(2-HYDROXY- ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE- 5,12-DIONE | A,B | 1NAB | 0.72 | |
C1N | N-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~- [3-FLUORO-1-(4-HYDROXYBENZYL)-2- OXOPROPYL]LEUCINAMIDE | A | 1ZCM | 0.72 | |
R19 | ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-HEXYL-}-METHYL-AMIN | A,B,C | 1O6R | 0.71 | |
S44 | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)- tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid | A | 2ZNN | 0.72 | |
S44 | (2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)- tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid | A,B | 2ZNO | 0.72 | |
BD2 | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXYBENZOYL)BENZOATE | A | 1RE8 | 0.76 | |
GEN | GENISTEIN | A | 1QKM | 0.7 | |
GEN | GENISTEIN | A,B | 1X7J | 0.7 | |
GEN | GENISTEIN | A,B | 2QA8 | 0.7 | |
GEN | GENISTEIN | A | 1X7R | 0.7 | |
SAK | (2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one | A,B,C,D,E,F | 3D04 | 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 | |
MOA | MYCOPHENOLIC ACID | A | 1ME7 | 0.81 | |
MOA | MYCOPHENOLIC ACID | A,B | 1JR1 | 0.81 | |
MOA | MYCOPHENOLIC ACID | A | 1MEI | 0.81 | |
MOA | MYCOPHENOLIC ACID | A | 1MEH | 0.81 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.74 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.74 | |
DM5 | IDARUBICIN | A,B,D | 198D | 0.73 | |
DM5 | IDARUBICIN | A | 1D38 | 0.73 | |
DM5 | IDARUBICIN | A | 1D67 | 0.73 | |
ARY | ARYLOMYCIN A2 | A,B | 1T7D | 0.71 | |
941 | 2-(4-{2-TERT-BUTOXYCARBONYLAMINO- 2-[4-(3-HYDROXY-2-METHOXYCARBONYL- PHENOXY)-BUTYLCARBAMOYL]-ETHYL}- PHENOXY)-MALONIC ACID | A | 1PYN | 0.77 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AL9 | 0.7 | |
BDA | 4-METHYLBENZYL-N-BIS[DAUNOMYCIN] | A | 1AGL | 0.7 | |
C40 | N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]- 2-(3-METHOXYPROPOXY)BENZAMIDE | A | 2V13 | 0.7 | |
ECA | N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE) | A,B | 2CHU | 0.71 |