Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003815
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 |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.7 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.7 | |
PG9 | D-PHENYLGLYCINE | A,B,G,H | 10GS | 0.7 | |
PG9 | D-PHENYLGLYCINE | A,B,C,D | 2B4K | 0.7 | |
U1N | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.75 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.82 | |
PSS | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.7 | |
HPQ | HOMOPHENYLALANINYLMETHANE | B | 1EWP | 0.74 | |
MCG | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | A,B | 1ISS | 0.72 | |
LEG | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE | A,B | 2PIN | 0.79 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.72 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.72 | |
605 | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl- 3-carboxamide | A,B | 3D4L | 0.77 | |
I06 | 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE- 1,4-DIONE | D,E,F,G,H,L, M,N,O,P | 1EEF | 0.7 | |
3MB | 3-METHOXYBENZAMIDE | A | 3PAX | 0.71 | |
KHA | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.75 | |
DMW | 2,3-DIMETHYL-1,4-NAPHTHOQUINONE | A,B,C,D,E,F | 2BS4 | 0.73 | |
4AF | 4-ACETYL-L-PHENYLALANINE | A | 1ZH6 | 0.73 | |
263 | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.7 | |
PHM | PHENYLALANYLMETHANE | A,I | 1PJP | 0.76 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2J9J | 0.76 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2JE4 | 0.76 | |
HBD | 4-HYDROXYBENZAMIDE | B,C,D | 1BEN | 0.71 | |
LSA | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1- DIOXIDE | A | 2Q1B | 0.76 | |
LSA | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1- DIOXIDE | A | 2Q38 | 0.76 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.7 | |
HBC | (2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE | H | 1JGU | 0.73 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.71 | |
GK5 | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.73 | |
HBX | benzaldehyde | A,B | 3GDN | 0.76 | |
BAG | N-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)- 2-HYDROXYVINYL]BENZAMIDE | A | 1WDA | 0.71 | |
HPK | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE | A | 2PUH | 0.71 | |
MN7 | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.7 | |
BHO | BENZHYDROXAMIC ACID | A,B | 1GX2 | 0.9 | |
BHO | BENZHYDROXAMIC ACID | A | 1HSR | 0.9 | |
BHO | BENZHYDROXAMIC ACID | A,B | 2ATJ | 0.9 | |
BHO | BENZHYDROXAMIC ACID | A,B | 4ATJ | 0.9 | |
BHO | BENZHYDROXAMIC ACID | A,B | 3ATJ | 0.9 | |
BHO | BENZHYDROXAMIC ACID | A | 3GCK | 0.9 | |
BHO | BENZHYDROXAMIC ACID | A,B,C,D,E,F, G,H | 2BOY | 0.9 | |
267 | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.7 | |
IPO | PARA-IODO-D-PHENYLALANINE HYDROXAMIC ACID | A | 1IGB | 0.71 | |
FSB | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G45 | 0.7 | |
FSB | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G1D | 0.7 | |
PHA | PHENYLALANINAL | A,B | 1OB2 | 0.73 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDG | 0.73 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDK | 0.73 | |
PHA | PHENYLALANINAL | 1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z | 1M90 | 0.73 | |
PHA | PHENYLALANINAL | P | 3SGA | 0.73 | |
PHA | PHENYLALANINAL | A,B,C,D,E,F | 1OB5 | 0.73 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDM | 0.73 | |
PHA | PHENYLALANINAL | 0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z | 1KQS | 0.73 | |
PHA | PHENYLALANINAL | A,B | 1KDV | 0.73 | |
PHA | PHENYLALANINAL | 1,2,4,5,6,A, B,C,D,E,J,K, L,M,N,O,P,R, S,T,U,V,Z | 1Q86 | 0.73 | |
PHA | PHENYLALANINAL | A,B | 1KDY | 0.73 | |
PHA | PHENYLALANINAL | V,Y,Z | 3FIC | 0.73 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDH | 0.73 | |
PHA | PHENYLALANINAL | A,B | 1KE2 | 0.73 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.73 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.73 | |
ABN | BENZYLAMINE | A | 1UTN | 0.73 | |
ABN | BENZYLAMINE | A | 1N6X | 0.73 | |
ABN | BENZYLAMINE | A | 2BZA | 0.73 | |
ABN | BENZYLAMINE | A | 2EUS | 0.73 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.73 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.73 | |
4PI | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.78 | |
BVA | TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE | B,C | 2P8O | 0.87 | |
VK3 | MENADIONE | A | 1TUV | 0.73 | |
VK3 | MENADIONE | A,B | 2QR2 | 0.73 | |
3PL | 3-PHENYLPROPANAL | E | 1Y3G | 0.7 | |
BSA | 2-(BENZOYLAMINO)ETHANESULFONIC ACID | A | 1YQS | 0.74 | |
1LP | TRANYLCYPROMINE | A,B | 1OJB | 0.7 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2BTJ | 0.77 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D,E,F | 2EFX | 0.77 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2VVJ | 0.77 | |
NFA | PHENYLALANINE AMIDE | A | 2A4O | 0.77 | |
NFA | PHENYLALANINE AMIDE | A,B | 1XAE | 0.77 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2OGR | 0.77 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 1QA7 | 0.77 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2GW4 | 0.77 | |
BZQ | DIPHENYLMETHANONE | A,B | 1GT5 | 0.75 | |
BZQ | DIPHENYLMETHANONE | A,B | 1DZP | 0.75 | |
IPP | (P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID | A,B | 1BLS | 0.71 | |
SAB | 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE | A | 1OKM | 0.73 | |
BFB | N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE | A | 2DW5 | 0.71 | |
RXA | isoquinoline-1,3,4(2H)-trione | A,B,C,D | 3DEH | 0.74 | |
BSB | N-BENZYL-4-SULFAMOYL-BENZAMIDE | A | 1G4O | 0.72 | |
INV | 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9L | 0.7 | |
3AB | 3-aminobenzamide | A,B,C,D | 3GOY | 0.82 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.75 | |
DHQ | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.76 | |
AC0 | 1-PHENYLETHANONE | A | 1ZK1 | 0.8 | |
AC0 | 1-PHENYLETHANONE | A | 1ZK4 | 0.8 | |
LAZ | N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE | A,B | 1OJC | 0.71 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.82 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.72 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.72 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.72 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.72 | |
HY1 | PHENYLACETALDEHYDE | D,H | 2I0S | 0.71 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6Y | 0.71 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6Z | 0.71 | |
HY1 | PHENYLACETALDEHYDE | D,H | 2OK4 | 0.71 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6U | 0.71 | |
PBP | 1-(4-BROMO-PHENYL)-ETHANONE | A,B | 2OK9 | 0.71 | |
PBP | 1-(4-BROMO-PHENYL)-ETHANONE | A,B | 1Z76 | 0.71 | |
PBP | 1-(4-BROMO-PHENYL)-ETHANONE | A | 1BK9 | 0.71 | |
STB | 4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDE | A | 1OKN | 0.71 |