Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02477416
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 |
RMA![]() | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE | A,B | 1S3B | 0.72 | ![]() |
1PC![]() | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.73 | ![]() |
SB7![]() | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A | 2AI7 | 0.78 | ![]() |
SB7![]() | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A,B,C | 2AI8 | 0.78 | ![]() |
FAF![]() | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.7 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.71 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.71 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.71 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.71 | ![]() |
BTM![]() | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.78 | ![]() |
DMX![]() | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.72 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.73 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.73 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.73 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.73 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.73 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.73 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTO | 0.73 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.73 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.73 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.73 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTM | 0.73 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.76 | ![]() |
PO0![]() | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.76 | ![]() |
L18![]() | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.79 | ![]() |
CT1![]() | (1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)- 1-FORMYLPENTYL]CARBAMATE | A | 2AUX | 0.7 | ![]() |
HPH![]() | PHENYLALANINDIOL | I | 1E5O | 0.74 | ![]() |
HPH![]() | PHENYLALANINDIOL | A,B | 1ODX | 0.74 | ![]() |
HPH![]() | PHENYLALANINDIOL | A,B | 1MTB | 0.74 | ![]() |
HPH![]() | PHENYLALANINDIOL | A,B | 2FGV | 0.74 | ![]() |
HPH![]() | PHENYLALANINDIOL | A | 1ODW | 0.74 | ![]() |
HPH![]() | PHENYLALANINDIOL | A,B | 2FGU | 0.74 | ![]() |
HPH![]() | PHENYLALANINDIOL | A,B | 1HXB | 0.74 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZSF | 0.74 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A | 1JLD | 0.74 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDA | 0.74 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDB | 0.74 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1Z8C | 0.74 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZBG | 0.74 | ![]() |
PR0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZPK | 0.74 | ![]() |
263![]() | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.7 | ![]() |
G27![]() | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9R | 0.71 | ![]() |
G27![]() | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9U | 0.71 | ![]() |
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 | ![]() |
PHA![]() | PHENYLALANINAL | A,B | 1OB2 | 0.71 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 2WDG | 0.71 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 2WDK | 0.71 | ![]() |
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 | 0.71 | ![]() |
PHA![]() | PHENYLALANINAL | P | 3SGA | 0.71 | ![]() |
PHA![]() | PHENYLALANINAL | A,B,C,D,E,F | 1OB5 | 0.71 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 2WDM | 0.71 | ![]() |
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 | 0.71 | ![]() |
PHA![]() | PHENYLALANINAL | A,B | 1KDV | 0.71 | ![]() |
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 | 0.71 | ![]() |
PHA![]() | PHENYLALANINAL | A,B | 1KDY | 0.71 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 3FIC | 0.71 | ![]() |
PHA![]() | PHENYLALANINAL | V,Y,Z | 2WDH | 0.71 | ![]() |
PHA![]() | PHENYLALANINAL | A,B | 1KE2 | 0.71 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.75 | ![]() |
NFP![]() | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.75 | ![]() |
PSS![]() | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.73 | ![]() |
EOA![]() | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.73 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1ZSR | 0.74 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZJ7 | 0.74 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZLF | 0.74 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEG | 0.74 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1FQX | 0.74 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1IIQ | 0.74 | ![]() |
PS0![]() | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEF | 0.74 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.79 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.79 | ![]() |
TPA![]() | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.71 | ![]() |
267![]() | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.7 | ![]() |
MBH![]() | 1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM ION | A | 1BMA | 0.71 | ![]() |
DPK![]() | DEPRENYL | A,B | 2BYB | 0.84 | ![]() |
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 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.73 | ![]() |
RM1![]() | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.71 | ![]() |
CPU![]() | A,B | 1CR6 | 0.71 | ![]() | |
PHL![]() | L-PHENYLALANINOL | A,B | 1JOH | 0.75 | ![]() |
PHL![]() | L-PHENYLALANINOL | I | 3APR | 0.75 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1DLZ | 0.75 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1IH9 | 0.75 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1OB4 | 0.75 | ![]() |
PHL![]() | L-PHENYLALANINOL | I | 2ER6 | 0.75 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1R9U | 0.75 | ![]() |
PHL![]() | L-PHENYLALANINOL | A | 1OB7 | 0.75 | ![]() |
PHL![]() | L-PHENYLALANINOL | A,B | 1OB6 | 0.75 | ![]() |
PHL![]() | L-PHENYLALANINOL | A,B,C | 1AMT | 0.75 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,I | 1PJP | 0.7 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,B,C | 2J9J | 0.7 | ![]() |
PHM![]() | PHENYLALANYLMETHANE | A,B,C | 2JE4 | 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 | ![]() |
COR![]() | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.71 | ![]() |
PDH![]() | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.75 | ![]() |
MKC![]() | 6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL | A | 1RT1 | 0.7 | ![]() |
GG3![]() | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2P1C | 0.75 | ![]() |
GG3![]() | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2Z7H | 0.75 | ![]() |