Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02401904
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 |
SRD![]() | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.74 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.77 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.77 | ![]() |
NAM![]() | NAM NAPTHYLAMINOALANINE | A,B,I,J | 3FIV | 0.79 | ![]() |
NAM![]() | NAM NAPTHYLAMINOALANINE | A,B,I,J | 2FIV | 0.79 | ![]() |
NPY![]() | NAPHTHALENE | A,B | 1O7G | 0.73 | ![]() |
ANC![]() | ANTHRACEN-1-YLAMINE | A,B | 1GT1 | 0.77 | ![]() |
ANC![]() | ANTHRACEN-1-YLAMINE | A,B | 1HN2 | 0.77 | ![]() |
IDI![]() | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | A,B | 1N7J | 0.73 | ![]() |
GVQ![]() | (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE | A | 2UW8 | 0.73 | ![]() |
263![]() | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.74 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.78 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.78 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.78 | ![]() |
FRD![]() | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.78 | ![]() |
745![]() | TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE- 2-CARBOXAMIDINE | A | 1U6Q | 0.72 | ![]() |
RM1![]() | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.84 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.74 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.74 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.74 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.74 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.74 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A | 1BMA | 0.7 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.7 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.7 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.7 | ![]() |
B2Y![]() | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.86 | ![]() |
SRB![]() | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.74 | ![]() |
ABN![]() | BENZYLAMINE | D,H | 2HXC | 0.76 | ![]() |
ABN![]() | BENZYLAMINE | A,I | 1A86 | 0.76 | ![]() |
ABN![]() | BENZYLAMINE | A | 1UTN | 0.76 | ![]() |
ABN![]() | BENZYLAMINE | A | 1N6X | 0.76 | ![]() |
ABN![]() | BENZYLAMINE | A | 2BZA | 0.76 | ![]() |
ABN![]() | BENZYLAMINE | A | 2EUS | 0.76 | ![]() |
ABN![]() | BENZYLAMINE | A | 1N6Y | 0.76 | ![]() |
ABN![]() | BENZYLAMINE | A | 1UTJ | 0.76 | ![]() |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 2FIV | 0.72 | ![]() |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | A,B | 1B0H | 0.72 | ![]() |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | B | 1FIV | 0.72 | ![]() |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 3FIV | 0.72 | ![]() |
34A![]() | 3,4-DIMETHYLANILINE | A | 1L4K | 0.7 | ![]() |
RAS![]() | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.81 | ![]() |
RAS![]() | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.81 | ![]() |
FBA![]() | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.74 | ![]() |
FBA![]() | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.74 | ![]() |
007![]() | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.77 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.79 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.79 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.81 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.81 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.81 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.81 | ![]() |
RSA![]() | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.81 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.73 | ![]() |
9AP![]() | 9-AMINOPHENANTHRENE | A | 1EGY | 0.76 | ![]() |
RMA![]() | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE | A,B | 1S3B | 0.76 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.75 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.75 | ![]() |
PEY![]() | PHENANTHRENE | A,B | 2HML | 0.72 | ![]() |
PEY![]() | PHENANTHRENE | A,B | 2HMK | 0.72 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.78 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.78 | ![]() |
BZZ![]() | BENZYLHYDRAZINE | A,B | 2E2V | 0.71 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.75 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.75 | ![]() |
1PC![]() | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.71 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.76 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.76 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.76 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTO | 0.76 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.76 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.76 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.76 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTM | 0.76 | ![]() |
PMI![]() | (2-AMINO-2,3-DIHYDRO-1H-INDEN-2- YL)PHOSPHONIC ACID | A,B,C,D,E,F, G,H | 2O7E | 0.73 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2ITK | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | H,I | 4THN | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2Q5A | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZWU | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A | 1SKL | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | H,I | 5GDS | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZH0 | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2JT9 | 0.72 | ![]() |
AN3![]() | ANTHRACENE | A,B | 2HMN | 0.72 | ![]() |
AN3![]() | ANTHRACENE | A,B | 2HMM | 0.72 | ![]() |
TPA![]() | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.78 | ![]() |
267![]() | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.74 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.71 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.71 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.71 | ![]() |
SRE![]() | (1S,4S)-4-(3,4-dichlorophenyl)- N-methyl-1,2,3,4-tetrahydronaphthalen- 1-amine | A | 3GWU | 0.7 | ![]() |