Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03365185
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 |
PDH | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.81 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.72 | |
ZAE | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.74 | |
HPH | PHENYLALANINDIOL | I | 1E5O | 0.77 | |
HPH | PHENYLALANINDIOL | A,B | 1ODX | 0.77 | |
HPH | PHENYLALANINDIOL | A,B | 1MTB | 0.77 | |
HPH | PHENYLALANINDIOL | A,B | 2FGV | 0.77 | |
HPH | PHENYLALANINDIOL | A | 1ODW | 0.77 | |
HPH | PHENYLALANINDIOL | A,B | 2FGU | 0.77 | |
HPH | PHENYLALANINDIOL | A,B | 1HXB | 0.77 | |
TTL | TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN5 | 0.72 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.77 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.77 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.77 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.72 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.72 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.72 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.72 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.72 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.72 | |
PSS | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.77 | |
PIR | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL- PYRROLIDINE-3,4-DIOL | A,B,C,D | 2MAS | 0.7 | |
HDB | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)BENZYL)GUANIDINE | A | 1ZMJ | 0.73 | |
PHL | L-PHENYLALANINOL | A,B | 1JOH | 0.81 | |
PHL | L-PHENYLALANINOL | I | 3APR | 0.81 | |
PHL | L-PHENYLALANINOL | A | 1DLZ | 0.81 | |
PHL | L-PHENYLALANINOL | A | 1IH9 | 0.81 | |
PHL | L-PHENYLALANINOL | A | 1OB4 | 0.81 | |
PHL | L-PHENYLALANINOL | I | 2ER6 | 0.81 | |
PHL | L-PHENYLALANINOL | A | 1R9U | 0.81 | |
PHL | L-PHENYLALANINOL | A | 1OB7 | 0.81 | |
PHL | L-PHENYLALANINOL | A,B | 1OB6 | 0.81 | |
PHL | L-PHENYLALANINOL | A,B,C | 1AMT | 0.81 | |
SRB | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.72 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.72 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.7 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.7 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.7 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.7 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.7 | |
2SK | (1R,2R,3R,4S,5R)-4-(BENZYLAMINO)- 5-(METHYLTHIO)CYCLOPENTANE-1,2,3- TRIOL | A | 2F7P | 0.73 | |
412 | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE | A | 1ZML | 0.78 | |
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 | |
V35 | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 2VGC | 0.7 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.75 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.75 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.75 | |
4FP | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.76 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.76 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.76 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZSF | 0.84 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A | 1JLD | 0.84 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDA | 0.84 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDB | 0.84 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1Z8C | 0.84 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZBG | 0.84 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZPK | 0.84 | |
CTL | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL | A,B | 2AN3 | 0.72 | |
SRD | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.72 | |
R1F | 3-{[(2,2,5,5-TETRAMETHYL-1-OXO- 4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM- 3-YL)METHYL]DISULFANYL}-D-ALANINE | A | 1ZUR | 0.71 | |
DPK | DEPRENYL | A,B | 2BYB | 0.76 | |
FOG | (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid | I | 1EED | 0.72 | |
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 | |
HPQ | HOMOPHENYLALANINYLMETHANE | B | 1EWP | 0.72 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.72 | |
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 | |
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 | 0.71 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | A | 1OS0 | 0.71 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | E,I | 4TMN | 0.71 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | S | 1CGH | 0.71 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1ZSR | 0.84 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZJ7 | 0.84 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZLF | 0.84 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEG | 0.84 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1FQX | 0.84 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1IIQ | 0.84 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEF | 0.84 | |
COR | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.8 | |
PSA | 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID | I | 1EPL | 0.72 | |
PSA | 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID | A,B,C,D | 2IFW | 0.72 | |
PSA | 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID | E,I | 1EPM | 0.72 | |
V36 | L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 1VGC | 0.7 | |
15M | (5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY- 2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT- 1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT- 5-ENAMIDE | A | 2F38 | 0.7 | |
SB7 | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A | 2AI7 | 0.76 | |
SB7 | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A,B,C | 2AI8 | 0.76 | |
FAF | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.71 | |
FPA | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.74 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | B,C | 1GG6 | 0.7 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 6GCH | 0.7 | |
TA2 | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.75 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2P1C | 0.72 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2Z7H | 0.72 | |
MN2 | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.73 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.75 | |
C20 | ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2- BENZYL-VAL-NH-ACETYL | A,B | 1HIH | 0.7 | |
C20 | ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2- BENZYL-VAL-NH-ACETYL | A,B | 1HII | 0.7 | |
007 | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.72 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.76 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.76 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.76 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.76 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.76 | |
G27 | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9R | 0.74 | |
G27 | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9U | 0.74 | |
SBD | D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE | A | 3VSB | 0.7 | |
TPA | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.73 | |
K7I | L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-alaninamide | A,B | 2QXG | 0.79 | |
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 | |
CPU | A,B | 1CR6 | 0.71 | ||
GB1 | (2R,3R,4S)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F18 | 0.76 | |
PHK | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL | A | 1MU0 | 0.76 | |
PHK | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL | A | 1XRL | 0.76 | |
APL | N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE | B,C | 1GG6 | 0.76 | |
GB3 | (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE- 3,4-DIOL | A | 2F1B | 0.77 | |
L18 | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.72 | |
GB2 | (2R,3R,4S)-2-({[(1S)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F1A | 0.76 | |
MY4 | (1-{(3S)-3-HYDROXY-4-OXO-4-[(2- PHENYLETHYL)AMINO]BUTANOYL}HYDRAZINO)ACETIC ACID | A | 2CNO | 0.72 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.7 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.7 | |
MEA | N-METHYLPHENYLALANINE | A | 2PIL | 0.74 | |
MEA | N-METHYLPHENYLALANINE | A,B,C,D | 1H0I | 0.74 | |
MEA | N-METHYLPHENYLALANINE | A,B,I | 1DOJ | 0.74 | |
APE | (1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID | E,I | 1SCN | 0.74 | |
SK3 | (1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE- 1,2,3,4-TETROL | A | 2F7R | 0.77 | |
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 | |
PHM | PHENYLALANYLMETHANE | A,I | 1PJP | 0.72 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2J9J | 0.72 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2JE4 | 0.72 | |
SBL | L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE | A | 1AV7 | 0.7 | |
KEL | N-[(2R)-2-benzyl-4-(hydroxyamino)- 4-oxobutanoyl]-L-alanine | X | 3B7U | 0.7 | |
J54 | (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}- 2-HYDROXYPROPANOIC ACID | A | 2V35 | 0.7 |