Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02858545
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 |
OXE![]() | ORTHO-XYLENE | A,B | 3E0X | 0.75 | ![]() |
OXE![]() | ORTHO-XYLENE | A | 188L | 0.75 | ![]() |
LEG![]() | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE | A,B | 2PIN | 0.71 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.81 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.81 | ![]() |
IPP![]() | (P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID | A,B | 1BLS | 0.72 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | D,H | 2I0S | 0.75 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6Y | 0.75 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6Z | 0.75 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | D,H | 2OK4 | 0.75 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6U | 0.75 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.81 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.81 | ![]() |
3PL![]() | 3-PHENYLPROPANAL | E | 1Y3G | 0.76 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,I | 1PJP | 0.8 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,B,C | 2J9J | 0.8 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,B,C | 2JE4 | 0.8 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A,B | 1GX2 | 0.74 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A | 1HSR | 0.74 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A,B | 2ATJ | 0.74 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A,B | 4ATJ | 0.74 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A,B | 3ATJ | 0.74 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A | 3GCK | 0.74 | ![]() |
BHO![]() | BENZHYDROXAMIC ACID | A,B,C,D,E,F, G,H | 2BOY | 0.74 | ![]() |
PCS![]() | PHENYLALANYLMETHYLCHLORIDE | B,D | 1DLK | 0.72 | ![]() |
PCS![]() | PHENYLALANYLMETHYLCHLORIDE | A | 1XQX | 0.72 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.78 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.78 | ![]() |
PXY![]() | PARA-XYLENE | A | 187L | 0.77 | ![]() |
PXY![]() | PARA-XYLENE | A | 225L | 0.77 | ![]() |
V35![]() | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 2VGC | 0.7 | ![]() |
FBA![]() | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.72 | ![]() |
FBA![]() | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.72 | ![]() |
2IB![]() | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.72 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.72 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.72 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.72 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.73 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.73 | ![]() |
2HT![]() | 3-methylbenzonitrile | A,B | 3F88 | 0.72 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2BTJ | 0.82 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D,E,F | 2EFX | 0.82 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2VVJ | 0.82 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A | 2A4O | 0.82 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B | 1XAE | 0.82 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2OGR | 0.82 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 1QA7 | 0.82 | ![]() |
NFA![]() | PHENYLALANINE AMIDE | A,B,C,D | 2GW4 | 0.82 | ![]() |
MFG![]() | (1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN- 1-IMINE | A,B | 2VZ2 | 0.7 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.79 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.79 | ![]() |
BNF![]() | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.72 | ![]() |
FPR![]() | PROPYLBENZENE | C | 1RHK | 0.77 | ![]() |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.75 | ![]() |
263![]() | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.72 | ![]() |
PSS![]() | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.73 | ![]() |
FPA![]() | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.76 | ![]() |
AC0![]() | 1-PHENYLETHANONE | A | 1ZK1 | 0.74 | ![]() |
AC0![]() | 1-PHENYLETHANONE | A | 1ZK4 | 0.74 | ![]() |
IPO![]() | PARA-IODO-D-PHENYLALANINE HYDROXAMIC ACID | A | 1IGB | 0.74 | ![]() |
PRY![]() | 2-PROPYL-ANILINE | A | 1OWY | 0.71 | ![]() |
V36![]() | L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 1VGC | 0.7 | ![]() |
NAM![]() | NAM NAPTHYLAMINOALANINE | A,B,I,J | 3FIV | 0.72 | ![]() |
NAM![]() | NAM NAPTHYLAMINOALANINE | A,B,I,J | 2FIV | 0.72 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.79 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.79 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.79 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.79 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.79 | ![]() |
HPQ![]() | HOMOPHENYLALANINYLMETHANE | B | 1EWP | 0.8 | ![]() |
23F![]() | (2Z)-2-AMINO-3-PHENYLACRYLIC ACID | A | 1VRZ | 0.7 | ![]() |
MBN![]() | TOLUENE | A,B | 3D7O | 0.76 | ![]() |
MBN![]() | TOLUENE | A,B | 1R1X | 0.76 | ![]() |
MBN![]() | TOLUENE | A,B | 1JLX | 0.76 | ![]() |
MBN![]() | TOLUENE | A,B,C,D | 3D17 | 0.76 | ![]() |
MBN![]() | TOLUENE | A,B | 2VRL | 0.76 | ![]() |
MBN![]() | TOLUENE | A,I | 2Z3E | 0.76 | ![]() |
MBN![]() | TOLUENE | A,B | 1YZI | 0.76 | ![]() |
MBN![]() | TOLUENE | A,B | 2DN1 | 0.76 | ![]() |
MBN![]() | TOLUENE | A,B | 3EN1 | 0.76 | ![]() |
ABN![]() | BENZYLAMINE | D,H | 2HXC | 0.75 | ![]() |
ABN![]() | BENZYLAMINE | A,I | 1A86 | 0.75 | ![]() |
ABN![]() | BENZYLAMINE | A | 1UTN | 0.75 | ![]() |
ABN![]() | BENZYLAMINE | A | 1N6X | 0.75 | ![]() |
ABN![]() | BENZYLAMINE | A | 2BZA | 0.75 | ![]() |
ABN![]() | BENZYLAMINE | A | 2EUS | 0.75 | ![]() |
ABN![]() | BENZYLAMINE | A | 1N6Y | 0.75 | ![]() |
ABN![]() | BENZYLAMINE | A | 1UTJ | 0.75 | ![]() |
BVA![]() | TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE | B,C | 2P8O | 0.71 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.79 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.79 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.79 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.79 | ![]() |
007![]() | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.72 | ![]() |
TPA![]() | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.73 | ![]() |
EOA![]() | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.76 | ![]() |
APF![]() | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | B,C | 1GG6 | 0.72 | ![]() |
APF![]() | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 6GCH | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.8 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.8 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.8 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTO | 0.8 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.8 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.8 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.8 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTM | 0.8 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.73 | ![]() |
267![]() | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.72 | ![]() |
PPH![]() | [(1R)-1-amino-2-phenylethyl]phosphonic acid | A | 1OS0 | 0.72 | ![]() |
PPH![]() | [(1R)-1-amino-2-phenylethyl]phosphonic acid | E,I | 4TMN | 0.72 | ![]() |
PPH![]() | [(1R)-1-amino-2-phenylethyl]phosphonic acid | S | 1CGH | 0.72 | ![]() |
1PB![]() | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.7 | ![]() |
0A9![]() | methyl L-phenylalaninate | A | 1AY2 | 0.71 | ![]() |
0A9![]() | methyl L-phenylalaninate | I | 5ER1 | 0.71 | ![]() |
0A9![]() | methyl L-phenylalaninate | I,P | 1HDT | 0.71 | ![]() |
GB5![]() | (2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE | A,B | 2ILP | 0.74 | ![]() |
N4B![]() | N-BUTYLBENZENE | A | 186L | 0.77 | ![]() |
1LP![]() | TRANYLCYPROMINE | A,B | 1OJB | 0.74 | ![]() |
PHA![]() | PHENYLALANINAL | A,B | 1OB2 | 0.77 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 2WDG | 0.77 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 2WDK | 0.77 | ![]() |
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 | 0.77 | ![]() |
PHA![]() | PHENYLALANINAL | P | 3SGA | 0.77 | ![]() |
PHA![]() | PHENYLALANINAL | A,B,C,D,E,F | 1OB5 | 0.77 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 2WDM | 0.77 | ![]() |
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 | 0.77 | ![]() |
PHA![]() | PHENYLALANINAL | A,B | 1KDV | 0.77 | ![]() |
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 | 0.77 | ![]() |
PHA![]() | PHENYLALANINAL | A,B | 1KDY | 0.77 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 3FIC | 0.77 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 2WDH | 0.77 | ![]() |
PHA![]() | PHENYLALANINAL | A,B | 1KE2 | 0.77 | ![]() |
PYL![]() | PHENYLETHANE | C | 1B07 | 0.77 | ![]() |
PYL![]() | PHENYLETHANE | A,B | 2VRM | 0.77 | ![]() |
PYL![]() | PHENYLETHANE | A | 1NHB | 0.77 | ![]() |
GB4![]() | (2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE | A,B | 2IMA | 0.7 | ![]() |
PBA![]() | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.75 | ![]() |