Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01044941
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 |
RDA | METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY- 4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}- 4,6-DIHYDROXYBENZOATE | A,B | 2GFD | 0.71 | |
RDA | METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY- 4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}- 4,6-DIHYDROXYBENZOATE | A | 2FXS | 0.71 | |
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 | |
413 | (S)-[(R)-2-(4-BENZYLOXY-3-METHOXY- PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)- ACETYLAMINO]-PHENYL-ACETIC ACID | H,L | 1W7X | 0.72 | |
413 | (S)-[(R)-2-(4-BENZYLOXY-3-METHOXY- PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)- ACETYLAMINO]-PHENYL-ACETIC ACID | H | 1W8B | 0.72 | |
DPA | A,B | 1PIK | 0.7 | ||
FLQ | N-[6-(ACETYLAMINO)HEXYL]-3',6'- DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN- 1,9'-XANTHENE]-6-CARBOXAMIDE | C | 2FDC | 0.77 | |
K55 | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.72 | |
L01 | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY- 3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]- N,N-DIPROPYLBENZAMIDE | A | 1W51 | 0.7 | |
U04 | ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN- 3-YL)-PROPYL]-PHENYLCARBAMOYL}- METHYL)-CARBAMIC ACID TERT-BUTYL ESTER | A | 4UPJ | 0.72 | |
D27 | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.76 | |
NBQ | 2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]- 3-OXOPROP-1-ENYL}AMINO)TYROSINE | A | 1SII | 0.73 | |
194 | 4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID | A | 1Z6P | 0.73 | |
B1L | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-HYDROXYBENZOATE | A | 1REJ | 0.76 | |
Y12 | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.71 | |
32P | 3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}- 5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE | A | 1TQF | 0.72 | |
SYR | SYRINGATE | A,B | 1WB5 | 0.71 | |
MBQ | 2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]- 3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE | A | 1SIH | 0.74 | |
RHO | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1J6Z | 0.7 | |
RHO | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1NWK | 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 | |
4BQ | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.7 | |
FLG | FLUORESCEINYLTHIOUREIDO | A,B | 1OCB | 0.71 | |
AI1 | N-BENZYL-3-(ALPHA-D-GALACTOS-1- YL)-BENZAMIDE | D,E,F,G,H,L, M,N,O,P | 1FD7 | 0.76 | |
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 | |
PH7 | (2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]- 2-PROPENOIC ACID | A | 1YVF | 0.76 | |
B8L | 3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE | A | 1REK | 0.73 | |
R2C | 5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID | A | 2PRL | 0.72 | |
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 | 0.75 | |
BD2 | 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN- 4-YL 4-(2-HYDROXYBENZOYL)BENZOATE | A | 1RE8 | 0.72 | |
UMG | METHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSE | A | 1BB6 | 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 | 0.71 | |
D55 | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 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 | 0.73 | |
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 | 0.73 | |
TDS | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE | A,B,C,D,L,R | 1Q90 | 0.71 | |
TDS | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE | A,B,C,D,G | 2E76 | 0.71 | |
TDS | 8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE | A,B,C,D,E,N, O,P,Q,R | 1VF5 | 0.71 | |
IC1 | 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]- INDOLIN-2-ONE | A,B | 1EH4 | 0.7 | |
TMS | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.79 | |
R6G | RHODAMINE 6G | B | 2V3L | 0.71 | |
429 | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY- 3-HYDROXY-PHENYL)-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1QXK | 0.79 | |
SIG | STIGMATELLIN | C,D,E | 2BCC | 0.71 | |
SIG | STIGMATELLIN | C,D,E | 3BCC | 0.71 | |
CYF | 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID | L,P | 1MPA | 0.71 | |
CYF | 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID | L,P | 2MPA | 0.71 | |
CYF | 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID | I,L | 1DZH | 0.71 | |
C40 | N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]- 2-(3-METHOXYPROPOXY)BENZAMIDE | A | 2V13 | 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 | 0.72 | |
RDE | 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5- CHLORO-2,4-DIHYDROXYBENZOATE | A,B | 2FYP | 0.71 | |
RDE | 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5- CHLORO-2,4-DIHYDROXYBENZOATE | A | 1ZWH | 0.71 | |
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 | |
CX6 | 2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3- G]PYRROLO[2,1-B][1,3]BENZOXAZIN- 11-ONE | A,B,C,D,E,F | 2AL4 | 0.73 | |
401 | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.7 | |
MGI | methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate | A | 2ZA0 | 0.73 | |
MOB | A,B | 1SRH | 0.71 | ||
QSO | 5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one | A,B | 2QYO | 0.7 | |
INX | 2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)- 2-[(3-CARBOXYPROPANOYL)AMINO] - 3-PHENYLPROPANOYL}AMINO)-3-OXO- 3-(PENTYLAMINO)PROPYL]BENZOIC ACID | A | 1G7G | 0.73 | |
NOV | NOVOBIOCIN | A,B | 1KIJ | 0.86 | |
NOV | NOVOBIOCIN | A,B | 1S14 | 0.86 | |
NOV | NOVOBIOCIN | A | 1AJ6 | 0.86 | |
BA1 | BALANOL | A | 1BX6 | 0.74 | |
941 | 2-(4-{2-TERT-BUTOXYCARBONYLAMINO- 2-[4-(3-HYDROXY-2-METHOXYCARBONYL- PHENOXY)-BUTYLCARBAMOYL]-ETHYL}- PHENOXY)-MALONIC ACID | A | 1PYN | 0.74 | |
HWG | N-(TERT-BUTYL)-3,5-DIMETHYL-N'- [(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN- 6-YL)CARBONYL]BENZOHYDRAZIDE | A,D | 1R20 | 0.78 | |
HV8 | BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINE | C | 1A8G | 0.71 | |
REF | 2,3,7,8-tetrahydroxychromeno[5,4,3- cde]chromene-5,10-dione | A | 2ZJW | 0.71 | |
EH5 | N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3- DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]- [2-(HEXAHYDRO-BENZO[1,3]DIOXOL- 5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)- 4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE | A | 1LF3 | 0.74 | |
FSE | 3,7,3',4'-TETRAHYDROXYFLAVONE | B | 1XO2 | 0.7 | |
MUS | 4-METHYL-2-OXO-2H-CHROMEN-7-YL 5- (ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO- NON-2-ULOPYRANOSIDONIC ACID | A | 1S0J | 0.76 | |
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 | 0.76 | |
HMO | 4'-HYDROXY-7-METHOXYISOFLAVONE | A | 1FP2 | 0.7 | |
AB8 | (1S,3R,8AS)-8-(2-{(4S,6S)-3-(4- HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)- 2-OXOETHYL]-2-OXO-1,3-OXAZINAN- 6-YL}ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A- HEXAHYDRONAPHTHALEN-1-YL (2R)-2- METHYLBUTANOATE | A,B | 1XDG | 0.71 | |
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 | |
195 | 4-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID | A | 1Z6Q | 0.71 | |
346 | (R)-(4-CARBAMIMIDOYL-PHENYLAMINO)- [5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO- FURAN-3-YLOXY]-PHENYL]-ACETIC ACID | H | 2BZ6 | 0.72 | |
MYF | 5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE | A | 2O65 | 0.7 | |
GUM | 4-METHYL-UMBELLIFERYL-N-ACETYL- CHITOBIOSE | A | 1BB7 | 0.72 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | L | 1FLR | 0.7 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,B | 1N0S | 0.7 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | C,L | 1T66 | 0.7 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A | 1X9Q | 0.7 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,D | 2NMV | 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 | |
4BU | (2S)-2-amino-5-[[4-[(2S)-2-hydroxy- 2-phenyl-ethoxy]phenyl]amino]-5- oxo-pentanoic acid | A | 3CHS | 0.7 |