Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00396109
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 |
FIN | A | 1ZVX | 0.71 | ||
MTJ | N,O-DIMETHYL-L-TYROSINE | A,B | 1ATL | 0.75 | |
ZHH | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.82 | |
K55 | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.72 | |
TOL | TOLRESTAT | A | 2PDL | 0.75 | |
TOL | TOLRESTAT | A | 2FZD | 0.75 | |
TOL | TOLRESTAT | A | 2FZB | 0.75 | |
TOL | TOLRESTAT | A | 1AH3 | 0.75 | |
TOL | TOLRESTAT | X | 1ZUA | 0.75 | |
TOL | TOLRESTAT | A | 1AE4 | 0.75 | |
TAX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM | A | 1FJ5 | 0.79 | |
CMZ | (2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol | A | 2OF0 | 0.73 | |
EIN | A | 1ZS0 | 0.71 | ||
LDP | L-DOPAMINE | A,B | 2A3R | 0.7 | |
LDP | L-DOPAMINE | A | 5PAH | 0.7 | |
LDP | L-DOPAMINE | A,B | 2QMZ | 0.7 | |
LDP | L-DOPAMINE | A,B | 2VQ5 | 0.7 | |
3AC | (2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL- 2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE | A | 2B5J | 0.7 | |
BS2 | (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11- DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN- 5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE | A,D,E | 2W8G | 0.71 | |
C3D | (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN- 1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-OL | A | 2OUZ | 0.71 | |
DRR | A,B | 3BXR | 0.73 | ||
PZM | 1-(4-METHOXYPHENYL)METHANAMINE | A,D,H | 2HJB | 0.82 | |
997 | 1-[3,3-DIMETHYL-2-(2-METHYLAMINO- PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY- PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4- TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE | A | 1TFT | 0.71 | |
C27 | (6R)-2-amino-6-[2-(3'-methoxybiphenyl- 3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin- 4(3H)-one | A | 2VA7 | 0.7 | |
P12 | 4-[AMINO(IMINO)METHYL]-1-[2-(3- AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN- 1-IUM | B | 1UUI | 0.82 | |
AEG | 4-[(2R)-2-aminopropyl]phenol | A | 3BUF | 0.71 | |
LIJ | BENZYL [(1S)-2-({(1S,2R)-1-BENZYL- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)- 2-OXO-1-{[(1-PROPYLBUTYL)SULFONYL]METHYL}ETHYL]CARBAMATE | A,B,C | 2HIZ | 0.71 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 3ERT | 0.73 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1S9Q | 0.73 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 1VJB | 0.73 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,P,R | 2JF9 | 0.73 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B,C,D,E,F | 2GPV | 0.73 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2GPU | 0.73 | |
OHT | 4-HYDROXYTAMOXIFEN | A | 2P7Z | 0.73 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2BJ4 | 0.73 | |
OHT | 4-HYDROXYTAMOXIFEN | A,B | 2FSZ | 0.73 | |
TNT | 1,3-BIS(AMIDINOPHENOXY)PROPANE | B | 102D | 0.74 | |
TNT | 1,3-BIS(AMIDINOPHENOXY)PROPANE | A | 1PRP | 0.74 | |
MR0 | N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}- N~1~,N~1~-DIPROPYLBENZENE-1,3,5- TRICARBOXAMIDE | A,B,C | 2P83 | 0.71 | |
AEH | 4-(2-aminoethyl)-2-ethylphenol | A | 3BUG | 0.72 | |
E20 | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.72 | |
NHN | A,C | 2GVF | 0.7 | ||
C4M | N-[(2R,3S)-3-AMINO-2-HYDROXY-4- PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE | B,I | 2C93 | 0.72 | |
HV7 | 1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE | C | 1A8G | 0.76 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQR | 0.76 | |
SAF | 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL | A | 1GQS | 0.76 | |
XX7 | 2-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3R | 0.72 | |
4CR | (1R)-4-({[ETHYL(METHYL)AMINO]CARBONYL}OXY)- N-METHYL-N-[(1E)-PROP-2-EN-1-YLIDENE]INDAN- 1-AMINIUM | A,B | 2C65 | 0.73 | |
L01 | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY- 3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]- N,N-DIPROPYLBENZAMIDE | A | 1W51 | 0.74 | |
505 | (2R)-1-(2,6-dimethylphenoxy)propan- 2-amine | A | 2VIN | 0.74 | |
DBO | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE- 10-CARBOXAMIDE | A,B,C,D | 2EWY | 0.72 | |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.77 | |
CS5 | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}- 5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QK5 | 0.72 | |
ZHZ | 2-(4-METHOXYPHENYL)ACETAMIDE | D,H | 2HKR | 0.74 | |
F1I | N-[1-(2,6-dimethoxybenzyl)piperidin- 4-yl]-4-sulfanylbutanamide | A | 2ZJI | 0.76 | |
RHP | (3R)-3-(PROP-2-YNYLAMINO)INDAN- 5-OL | A,B | 1S3E | 0.74 | |
DID | 4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE | A,B,C,D | 1RPW | 0.74 | |
XX6 | 2-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE- 1,3-DIOL | A | 2V3I | 0.72 | |
296 | (3R)-3-amino-2,2-difluoro-3-(4- methoxyphenyl)propanoic acid | A,B | 2RJS | 0.71 | |
PET | 1,5-DI(4-AMIDINOPHENOXY)-3-OXA- PENTANE | B | 166D | 0.73 | |
HA2 | 6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]- 6-OXOHEXANOIC ACID) | A | 2VJ8 | 0.72 | |
DPD | A,B | 1QIW | 0.81 | ||
DPD | A | 1QIV | 0.81 | ||
Y13 | (2E)-3-(3,4-DIHYDROXYPHENYL)-N- [2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE | A | 2EW6 | 0.73 | |
D18 | 2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN | B | 298D | 0.75 | |
C5M | N-{(2R,3S)-3-[(3-CHLOROBENZYL)AMINO]- 2-HYDROXY-4-PHENYLBUTYL}-4-METHOXY- 2,3,6-TRIMETHYLBENZENESULFONAMIDE | B,I | 2C8X | 0.71 | |
ZYA | BENZOYL-TYROSINE-ALANINE-METHYL KETONE | A | 1AIM | 0.71 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OTF | 0.71 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2NUV | 0.71 | |
2TN | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE | A | 2OUB | 0.71 | |
D19 | 2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN | A | 289D | 0.73 | |
LDT | IDD594 | A | 1US0 | 0.71 | |
LDT | IDD594 | A | 3GHU | 0.71 | |
LDT | IDD594 | A | 3GHT | 0.71 | |
LDT | IDD594 | A | 2I17 | 0.71 | |
LDT | IDD594 | A | 2QXW | 0.71 | |
LDT | IDD594 | A | 3GHS | 0.71 | |
LDT | IDD594 | A | 3GHR | 0.71 | |
LDT | IDD594 | A | 2PEV | 0.71 | |
LDT | IDD594 | A | 2I16 | 0.71 | |
LDT | IDD594 | A | 2PF8 | 0.71 | |
LDT | IDD594 | A | 2PFH | 0.71 | |
LDT | IDD594 | A | 2R24 | 0.71 | |
TMS | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.73 | |
4BG | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.76 | |
B11 | N-[3-(4-FLUOROPHENOXY)PHENYL]-4- [(2-HYDROXYBENZYL)AMINO]PIPERIDINE- 1-SULFONAMIDE | A | 1ZZ2 | 0.71 | |
AED | 4-(2-aminoethyl)-2-cyclohexylphenol | A | 3BUH | 0.72 | |
TF3 | N-(2-AMINOETHYL)-2-{3-CHLORO-4- [(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE | A | 2BU7 | 0.71 | |
AHT | 4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL | I,T | 1TMB | 0.7 | |
Y12 | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.78 | |
SLX | (13aS)-3,10-dimethoxy-5,8,13,13a- tetrahydro-6H-isoquino[3,2-a]isoquinoline- 2,9-diol | A | 3FW9 | 0.74 | |
REN | (S)-reticuline | A | 3FWA | 0.76 | |
REN | (S)-reticuline | A | 3D2D | 0.76 | |
P14 | N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}- 4-METHOXYPHENOXY)ETHYL]GUANIDINE | B | 1UUD | 0.82 | |
DCH | 3-(7-DIAMINOMETHYL-NAPHTHALEN-2- YL)-PROPIONIC ACID ETHYL ESTER | H | 1UVU | 0.72 | |
R23 | METHYL-[4-(4-PIPERIDINE-1-YLMETHYL- PHENYL)-CYCLOHEXYL]-CARBAMINIC ACID- (4-CHLOROPHENYL)-ESTER | A,B,C | 1O79 | 0.71 | |
D24 | 2,5-BIS-[4-[CYCLOPENTA-1,3-DIEN- 5-YLAMINO-1-AMINOMETHYL]-PHEN-1- YL]FURAN | B | 1EEL | 0.73 | |
D34 | 2,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHYL)PHENYL]}FURAN | A | 1FMQ | 0.72 | |
3MB | 3-METHOXYBENZAMIDE | A | 3PAX | 0.74 | |
TXF | (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}- 5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL | A,B,C,D,E | 2EWP | 0.73 | |
HV8 | BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINE | C | 1A8G | 0.76 | |
GVB | (3R,4S)-1-(3,4-DIMETHOXYPHENYL)- 3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE | A,B | 2JID | 0.73 | |
T1D | 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5- THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE | A | 2BGD | 0.71 | |
C18 | 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]- 2H-CHROMEN-2-ONE | A,B | 2V61 | 0.72 | |
HTA | N-[3-(N'-HYDROXYCARBOXAMIDO)-2- (2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE- N-METHYLAMIDE | A | 1FBL | 0.73 | |
401 | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.74 | |
D35 | 2,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURAN | A | 1FMS | 0.72 | |
L05 | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.7 | |
F1L | N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin- 4-yl]-4-sulfanylbutanamide | A | 2ZJL | 0.72 | |
ROL | ROLIPRAM | A,B,C,D | 1OYN | 0.72 | |
ROL | ROLIPRAM | A,B | 1XMY | 0.72 | |
ROL | ROLIPRAM | A,B,C,D | 1Q9M | 0.72 | |
ROL | ROLIPRAM | A,B | 1RO6 | 0.72 | |
ROL | ROLIPRAM | A,B | 1XN0 | 0.72 | |
ROL | ROLIPRAM | A,B | 1TBB | 0.72 | |
SNP | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)- 2-PROPANOL | A | 1DY4 | 0.78 | |
442 | 2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2- PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE- 1,1-DIOL | A | 1R6G | 0.75 | |
H24 | (6S)-2-amino-6-(3'-methoxybiphenyl- 3-yl)-3,6-dimethyl-5,6-dihydropyrimidin- 4(3H)-one | A | 2VA6 | 0.73 | |
BHP | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7- PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID | A,B | 1J1A | 0.73 | |
AEF | 4-(2-aminoethyl)phenol | A | 3BRA | 0.7 | |
RFX | (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWV | 0.83 | |
ANM | ANISOMYCIN | 1,2,4,A,B,C, D,E,J,K,L,M, N,O,P,R,S,T, U,V,Z | 1K73 | 0.73 | |
ANM | ANISOMYCIN | 0,1,3,9,A,B, C,F,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 3CC4 | 0.73 | |
CTX | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE | A,B,C | 1YA4 | 0.75 | |
K21 | 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]- 7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4- BENZOTHIAZEPINE | A,B | 1HAK | 0.72 | |
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 | |
SFX | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine | A | 3GWW | 0.83 | |
MR1 | 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE | A | 2ORQ | 0.76 | |
11N | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.76 | |
4SR | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.72 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR4 | 0.73 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | B | 1D64 | 0.73 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR5 | 0.73 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | A,B,D,E | 1RKW | 0.73 |