Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03538449
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 |
263 | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.75 | |
APE | (1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID | E,I | 1SCN | 0.88 | |
V36 | L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 1VGC | 0.71 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.73 | |
KHA | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.7 | |
CPU | A,B | 1CR6 | 0.73 | ||
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.82 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.72 | |
MBH | 1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM ION | A | 1BMA | 0.7 | |
MPQ | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.72 | |
MN2 | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.82 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B | 1UF8 | 0.72 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HDU | 0.72 | |
F1H | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.71 | |
SRD | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.73 | |
RRT | (R)-RETRO-THIORPHAN | E | 1Z9G | 0.72 | |
MY3 | [N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)- HYDRAZINO] - ACETIC ACID | A,I | 2CNL | 0.7 | |
MX3 | (1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACID | I | 2C2O | 0.74 | |
SB7 | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A | 2AI7 | 0.73 | |
SB7 | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A,B,C | 2AI8 | 0.73 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.86 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.74 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.74 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.74 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.74 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.74 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.74 | |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.73 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.73 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.72 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.72 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.72 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.72 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.72 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.72 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.72 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.72 | |
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 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.75 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.75 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.75 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.75 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.75 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.71 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.71 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.73 | |
HDB | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)BENZYL)GUANIDINE | A | 1ZMJ | 0.72 | |
SRB | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.73 | |
APL | N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE | B,C | 1GG6 | 0.72 | |
BZZ | BENZYLHYDRAZINE | A,B | 2E2V | 0.72 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.82 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.82 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.82 | |
PRA | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.7 | |
PRA | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.7 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.7 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.7 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.74 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.74 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.74 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.74 | |
NPG | N-SUCCINYL PHENYLGLYCINE | A,B,C,D | 1SJD | 0.7 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.71 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.71 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.71 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.71 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.71 | |
V35 | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 2VGC | 0.71 | |
J54 | (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}- 2-HYDROXYPROPANOIC ACID | A | 2V35 | 0.75 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.84 | |
FPA | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.75 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.76 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.76 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.76 | |
2BF | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | A,B,C,D | 1ND5 | 0.76 | |
267 | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.75 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.8 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.8 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.7 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.72 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.77 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.77 | |
TIO | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE | E | 1ZDP | 0.72 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.72 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.74 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.8 | |
IDI | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | A,B | 1N7J | 0.71 |