Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02393733
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 |
IDI | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | A,B | 1N7J | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.72 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.72 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.72 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.72 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.72 | |
SRB | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.72 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.75 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.74 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.76 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.76 | |
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 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.74 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.74 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.74 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.74 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.74 | |
SRD | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.72 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.75 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.75 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.73 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.77 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.77 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.77 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.74 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.74 | |
007 | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.72 | |
DPK | DEPRENYL | A,B | 2BYB | 0.74 | |
412 | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE | A | 1ZML | 0.76 | |
APE | (1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID | E,I | 1SCN | 0.72 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.76 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.76 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.76 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.76 | |
TPA | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.75 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.73 | |
CPU | A,B | 1CR6 | 0.82 | ||
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.76 | |
FA4 | SM-25453 | A,B | 2D1O | 0.7 | |
FA4 | SM-25453 | A,B | 2D1N | 0.7 | |
NAM | NAM NAPTHYLAMINOALANINE | A,B,I,J | 3FIV | 0.7 | |
NAM | NAM NAPTHYLAMINOALANINE | A,B,I,J | 2FIV | 0.7 | |
4FP | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.74 | |
TPM | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.71 | |
HDB | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)BENZYL)GUANIDINE | A | 1ZMJ | 0.71 | |
L18 | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.72 | |
PRA | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.74 | |
PRA | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.74 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.74 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.74 |