MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02327548

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
AC0	1-PHENYLETHANONE	A	1ZK1	0.7
AC0	1-PHENYLETHANONE	A	1ZK4	0.7
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.8
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.83
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.72
PXY	PARA-XYLENE	A	187L	0.78
PXY	PARA-XYLENE	A	225L	0.78
MBN	TOLUENE	A,B	3D7O	0.78
MBN	TOLUENE	A,B	1R1X	0.78
MBN	TOLUENE	A,B	1JLX	0.78
MBN	TOLUENE	A,B,C,D	3D17	0.78
MBN	TOLUENE	A,B	2VRL	0.78
MBN	TOLUENE	A,I	2Z3E	0.78
MBN	TOLUENE	A,B	1YZI	0.78
MBN	TOLUENE	A,B	2DN1	0.78
MBN	TOLUENE	A,B	3EN1	0.78
SMN	(S)-MANDELIC ACID	A	1MDL	0.72
DEN	INDENE	A	183L	0.73
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.82
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.82
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.82
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.82
PEL	2-PHENYL-ETHANOL	A	1EYW	0.82
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.82
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.79
BDB		A,B	1KE3	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.74
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.81
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.72
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.74
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.74
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.74
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.74
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.74
I4B	ISOBUTYLBENZENE	A	184L	0.78
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.78
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N, O,P	1GUL	0.73
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.79
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.88
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.88
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.88
341	(3,5-difluorophenyl)methanol	C	3EON	0.75
R13	3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID	A	2CBS	0.7
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.71
PYL	PHENYLETHANE	C	1B07	0.81
PYL	PHENYLETHANE	A,B	2VRM	0.81
PYL	PHENYLETHANE	A	1NHB	0.81
CRS	M-CRESOL	A,B,C,D	1EV3	0.72
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.72
CRS	M-CRESOL	A,B	1UZ9	0.72
CRS	M-CRESOL	A,B,C,D	1ZEH	0.72
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.72
CRS	M-CRESOL	A,C,D,E	7INS	0.72
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.72
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
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.79
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.79
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.79
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.72
OXE	ORTHO-XYLENE	A,B	3E0X	0.78
OXE	ORTHO-XYLENE	A	188L	0.78
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.77
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.72
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A	2AI7	0.73
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A,B,C	2AI8	0.73
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.76
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.76
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.78
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.73
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.79
BRB	PARA-BROMOBENZYL ALCOHOL	A,B	1HLD	0.71
N4B	N-BUTYLBENZENE	A	186L	0.81
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.75
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.75
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
8PP	2-[(2E,6E,10E,14E,18E,22E,26E)- 3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA- 2,6,10,14,18,22,26,30-OCTAENYL]PHENOL	A,B,C,D	1Y0G	0.71
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.71
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.75
2LP	2-ALLYLPHENOL	A	1OV5	0.73
PHL	L-PHENYLALANINOL	A,B	1JOH	0.7
PHL	L-PHENYLALANINOL	I	3APR	0.7
PHL	L-PHENYLALANINOL	A	1DLZ	0.7
PHL	L-PHENYLALANINOL	A	1IH9	0.7
PHL	L-PHENYLALANINOL	A	1OB4	0.7
PHL	L-PHENYLALANINOL	I	2ER6	0.7
PHL	L-PHENYLALANINOL	A	1R9U	0.7
PHL	L-PHENYLALANINOL	A	1OB7	0.7
PHL	L-PHENYLALANINOL	A,B	1OB6	0.7
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.7
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.71
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.77
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.7
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.7
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.7
SS1	1-PHENYLETHANOL	H	1UM5	0.88
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z	1VQ6	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z	1VQP	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z	1VQN	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.71
RMN	(R)-MANDELIC ACID	A	1MDL	0.72
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.72
FPR	PROPYLBENZENE	C	1RHK	0.81
1LP	TRANYLCYPROMINE	A,B	1OJB	0.73
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.76
ETY	4-ethylphenol	A,B,C,D	2RA6	0.75
3PL	3-PHENYLPROPANAL	E	1Y3G	0.75
PCR	P-CRESOL	A	1JHV	0.73
PCR	P-CRESOL	A	1JHU	0.73
PCR	P-CRESOL	A,B,C,D	1DIQ	0.73
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.82
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.74
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.74
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.71
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.72