Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00776630
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 |
TNT | 1,3-BIS(AMIDINOPHENOXY)PROPANE | B | 102D | 0.72 | |
TNT | 1,3-BIS(AMIDINOPHENOXY)PROPANE | A | 1PRP | 0.72 | |
D27 | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.71 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.71 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.71 | |
IN4 | +/-METHYL 4-(AMINOIMINOMETHYL)- BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE | A | 1AZ8 | 0.7 | |
MAX | MATAIRESINOL | A | 2BGM | 0.71 | |
Y12 | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.71 | |
E20 | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.75 | |
DX9 | (2S)-3-(7-carbamimidoylnaphthalen- 2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin- 3-yl}oxy)phenyl]propanoic acid | A | 1FAX | 0.72 | |
DX9 | (2S)-3-(7-carbamimidoylnaphthalen- 2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin- 3-yl}oxy)phenyl]propanoic acid | A | 1MTW | 0.72 | |
HWG | N-(TERT-BUTYL)-3,5-DIMETHYL-N'- [(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN- 6-YL)CARBONYL]BENZOHYDRAZIDE | A,D | 1R20 | 0.76 | |
TMS | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.71 | |
167 | 6-CARBAMIMIDOYL-2-[2-HYDROXY-5- (3-METHOXY-PHENYL)-INDAN-1-YL]- HEXANOIC ACID | B,I | 1QJ6 | 0.76 | |
DID | 4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDE | A,B,C,D | 1RPW | 0.73 | |
PET | 1,5-DI(4-AMIDINOPHENOXY)-3-OXA- PENTANE | B | 166D | 0.74 | |
UIB | (1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL- 5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL- 6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL- 1-YL}-BENZAMIDINE | H,I | 1YPJ | 0.71 | |
UIB | (1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL- 5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL- 6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL- 1-YL}-BENZAMIDINE | A | 1Y3X | 0.71 | |
TL4 | 2-O-{3-[AMINO(IMINO)METHYL]PHENYL}- 5-O-{4-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y5U | 0.71 | |
IKR | methyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoate | A,C,D,E,N,P, Q,R | 3H1K | 0.73 | |
H24 | (6S)-2-amino-6-(3'-methoxybiphenyl- 3-yl)-3,6-dimethyl-5,6-dihydropyrimidin- 4(3H)-one | A | 2VA6 | 0.7 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR4 | 0.72 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | B | 1D64 | 0.72 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | X | 3CR5 | 0.72 | |
PNT | 1,5-BIS(4-AMIDINOPHENOXY)PENTANE | A,B,D,E | 1RKW | 0.72 | |
BX3 | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]- 3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID | A | 1MTV | 0.73 | |
BX3 | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]- 3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID | A | 1MTU | 0.73 | |
BX3 | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]- 3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID | A | 1MTS | 0.73 | |
401 | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 0.72 | |
FIL | (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O- (AMINOCARBONYL)OXIME | A,B | 1XLZ | 0.71 | |
K55 | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.71 | |
421 | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER | A | 1ZSK | 0.71 | |
BPF | 2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}FURAN | A,B | 360D | 0.75 | |
BGF | 2,5-BIS(4-GUANYLPHENYL)FURAN | A | 227D | 0.79 | |
K05 | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN- 1-YL)METHYLENE]BENZOHYDRAZIDE | A,B | 2I5J | 0.75 | |
MPP | 3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID | A,B | 2AY3 | 0.71 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.7 | |
TL2 | 2-O-{4-[AMINO(IMINO)METHYL]PHENYL}- 5-O-{3-[AMINO(IMINO)METHYL]PHENYL}- 1,4:3,6-DIANHYDRO-D-GLUCITOL | T | 1Y5A | 0.71 | |
3MB | 3-METHOXYBENZAMIDE | A | 3PAX | 0.75 |