Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01267849
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 |
APL | N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE | B,C | 1GG6 | 0.75 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.73 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.72 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.72 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.72 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.72 | |
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 | |
PIR | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL- PYRROLIDINE-3,4-DIOL | A,B,C,D | 2MAS | 0.78 | |
COR | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.75 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2P1C | 0.71 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2Z7H | 0.71 | |
ZAE | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.73 | |
KHA | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.72 | |
MY3 | [N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)- HYDRAZINO] - ACETIC ACID | A,I | 2CNL | 0.74 | |
PHK | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL | A | 1MU0 | 0.74 | |
PHK | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL | A | 1XRL | 0.74 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.71 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.73 | |
SK3 | (1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE- 1,2,3,4-TETROL | A | 2F7R | 0.88 | |
J54 | (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}- 2-HYDROXYPROPANOIC ACID | A | 2V35 | 0.79 | |
MY4 | (1-{(3S)-3-HYDROXY-4-OXO-4-[(2- PHENYLETHYL)AMINO]BUTANOYL}HYDRAZINO)ACETIC ACID | A | 2CNO | 0.71 | |
GB6 | (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)- 2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin- 2-one | A | 3DDF | 0.76 | |
SC5 | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.72 | |
MPQ | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.74 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A,B | 2ZOF | 0.72 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2HPT | 0.72 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1TXR | 0.72 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1XRY | 0.72 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2EK9 | 0.72 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1HS6 | 0.72 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2DQM | 0.72 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 3EBH | 0.72 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1GW6 | 0.72 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A,B | 2ZOG | 0.72 | |
MN2 | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.79 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.76 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.75 | |
PSS | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.73 | |
2BF | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | A,B,C,D | 1ND5 | 0.72 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.73 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.73 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.73 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.73 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.73 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.78 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.78 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.78 | |
GB3 | (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE- 3,4-DIOL | A | 2F1B | 0.88 | |
SB7 | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A | 2AI7 | 0.71 | |
SB7 | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A,B,C | 2AI8 | 0.71 | |
VBZ | (1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl- 2-aza-bicyclo[2.2.2]octane-4,7,8- triol | A,B | 2VO5 | 0.74 | |
DPK | DEPRENYL | A,B | 2BYB | 0.73 | |
PHL | L-PHENYLALANINOL | A,B | 1JOH | 0.78 | |
PHL | L-PHENYLALANINOL | I | 3APR | 0.78 | |
PHL | L-PHENYLALANINOL | A | 1DLZ | 0.78 | |
PHL | L-PHENYLALANINOL | A | 1IH9 | 0.78 | |
PHL | L-PHENYLALANINOL | A | 1OB4 | 0.78 | |
PHL | L-PHENYLALANINOL | I | 2ER6 | 0.78 | |
PHL | L-PHENYLALANINOL | A | 1R9U | 0.78 | |
PHL | L-PHENYLALANINOL | A | 1OB7 | 0.78 | |
PHL | L-PHENYLALANINOL | A,B | 1OB6 | 0.78 | |
PHL | L-PHENYLALANINOL | A,B,C | 1AMT | 0.78 | |
TA2 | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.85 | |
412 | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE | A | 1ZML | 0.79 | |
HDB | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)BENZYL)GUANIDINE | A | 1ZMJ | 0.8 | |
2SK | (1R,2R,3R,4S,5R)-4-(BENZYLAMINO)- 5-(METHYLTHIO)CYCLOPENTANE-1,2,3- TRIOL | A | 2F7P | 0.83 | |
PDH | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.78 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1ZSR | 0.81 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZJ7 | 0.81 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZLF | 0.81 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEG | 0.81 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1FQX | 0.81 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1IIQ | 0.81 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEF | 0.81 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZSF | 0.81 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A | 1JLD | 0.81 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDA | 0.81 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDB | 0.81 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1Z8C | 0.81 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZBG | 0.81 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZPK | 0.81 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.76 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.76 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.71 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.71 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.71 | |
BAV | (3S,14R,16S)-16-[(1R)-1-hydroxy- 2-{[3-(1-methylethyl)benzyl]amino}ethyl]- 3,4,14-trimethyl-1,4-diazacyclohexadecane- 2,5-dione | A,B,C | 3DV5 | 0.75 | |
K7I | L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-alaninamide | A,B | 2QXG | 0.79 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.73 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.73 | |
HPH | PHENYLALANINDIOL | I | 1E5O | 0.76 | |
HPH | PHENYLALANINDIOL | A,B | 1ODX | 0.76 | |
HPH | PHENYLALANINDIOL | A,B | 1MTB | 0.76 | |
HPH | PHENYLALANINDIOL | A,B | 2FGV | 0.76 | |
HPH | PHENYLALANINDIOL | A | 1ODW | 0.76 | |
HPH | PHENYLALANINDIOL | A,B | 2FGU | 0.76 | |
HPH | PHENYLALANINDIOL | A,B | 1HXB | 0.76 | |
MEA | N-METHYLPHENYLALANINE | A | 2PIL | 0.73 | |
MEA | N-METHYLPHENYLALANINE | A,B,C,D | 1H0I | 0.73 | |
MEA | N-METHYLPHENYLALANINE | A,B,I | 1DOJ | 0.73 | |
GB2 | (2R,3R,4S)-2-({[(1S)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F1A | 0.87 | |
S13 | (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)- 3-(4-methylphenyl)-1,6-dioxa-2- azaspiro[4.5]decane-8,9,10-triol | A | 2QRQ | 0.7 | |
AO1 | (2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSULFANYL)PENTANOYL- ((S)-(-)-(1-NAPHTHYL)ETHYL)AMIDE | A | 1R5G | 0.7 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.73 | |
GB7 | (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)- 2-hydroxy-1-phenylethyl]amino}methyl)- 1-methylpyrrolidin-2-one | A | 3DDG | 0.76 | |
GB1 | (2R,3R,4S)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F18 | 0.87 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.72 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.72 | |
216 | [4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO- 5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7- BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE | B | 1HWR | 0.73 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.7 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.7 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.7 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.7 | |
MY5 | {1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)- 1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY- 4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID | I | 2CNN | 0.74 | |
G27 | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9R | 0.77 | |
G27 | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9U | 0.77 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.72 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.72 |