MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012884

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Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
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	0.78
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.72
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.72
ETY	4-ethylphenol	A,B,C,D	2RA6	0.81
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.74
SMN	(S)-MANDELIC ACID	A	1MDL	0.72
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.76
MBD	3-METHYLCATECHOL	A	1KNF	0.73
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.79
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2I	0.7
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2J	0.7
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.76
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.76
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.79
BFL		A,B	1Q4G	0.71
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.74
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.77
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.77
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.77
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.77
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.77
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.77
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.82
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.87
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.87
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.87
ANF	ANTHRONE	H	2BJM	0.72
PAC	2-PHENYLACETIC ACID	B	1PNL	0.71
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.71
PAC	2-PHENYLACETIC ACID	B	1FXH	0.71
PAC	2-PHENYLACETIC ACID	A	2ISF	0.71
PAC	2-PHENYLACETIC ACID	A	2INE	0.71
341	(3,5-difluorophenyl)methanol	C	3EON	0.77
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.78
2LP	2-ALLYLPHENOL	A	1OV5	0.81
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.78
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.78
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.7
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.7
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.7
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.7
HCI	HYDROCINNAMIC ACID	A	1TOI	0.7
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.7
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.7
AEG	4-[(2R)-2-aminopropyl]phenol	A	3BUF	0.71
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.79
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.79
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.79
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.79
PEL	2-PHENYL-ETHANOL	A	1EYW	0.79
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.79
AEH	4-(2-aminoethyl)-2-ethylphenol	A	3BUG	0.72
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.74
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.71
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.79
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.7
BPY	BIPHENYL-2,3-DIOL	A	1KMY	0.74
BPY	BIPHENYL-2,3-DIOL	B	1KW8	0.74
BPY	BIPHENYL-2,3-DIOL	A	2EI3	0.74
BPY	BIPHENYL-2,3-DIOL	A	1EIR	0.74
BPY	BIPHENYL-2,3-DIOL	B	1KW6	0.74
BPY	BIPHENYL-2,3-DIOL	B	1KWC	0.74
BPY	BIPHENYL-2,3-DIOL	B	1KW9	0.74
IBP	IBUPROFEN	A	3FKX	0.72
IBP	IBUPROFEN	A,B	2BXG	0.72
IBP	IBUPROFEN	A,B	1EQG	0.72
IBP	IBUPROFEN	A,B,C	2WD9	0.72
IBP	IBUPROFEN	A	2PWS	0.72
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.73
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.73
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.71
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.79
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.87
CRS	M-CRESOL	A,B,C,D	1EV3	0.78
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.78
CRS	M-CRESOL	A,B	1UZ9	0.78
CRS	M-CRESOL	A,B,C,D	1ZEH	0.78
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.78
CRS	M-CRESOL	A,C,D,E	7INS	0.78
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.78
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.71
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.71
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.71
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.71
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.71
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.71
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.71
MCT	4-METHYLCATECHOL	A	1L4G	0.72
MCT	4-METHYLCATECHOL	A	2EHZ	0.72
MCT	4-METHYLCATECHOL	A,B	1DMH	0.72
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.71
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.79
DIN	1,6-DIHYDROXY NAPHTHALENE	A	1ZB6	0.71
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.8
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.71
BHQ	2,5-DITERT-BUTYLBENZENE-1,4-DIOL	A,B	2AGV	0.74
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.71
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.71
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.71
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.71
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.71
1NP	1-NAPHTHOL	X	2ZVQ	0.73
HC4		A	1TS6	0.71
HC4		A	3PHY	0.71
HC4		A	3PYP	0.71
HC4		A	1T1C	0.71
HC4		A	1OT6	0.71
HC4		A	1TS0	0.71
HC4		A	1T1A	0.71
HC4		A	2PYP	0.71
HC4		A	2ZOI	0.71
HC4		A	1OTI	0.71
HC4		A	1XFQ	0.71
HC4		A	2D01	0.71
HC4		A,B,C,D,E,F, G,H	2O7B	0.71
HC4		A	2ZOH	0.71
HC4		A	1GSW	0.71
HC4		A	2QJ7	0.71
HC4		A	1F9I	0.71
HC4		X	1UWP	0.71
HC4		A	2PHY	0.71
HC4		A	1T1B	0.71
HC4		A	1F98	0.71
HC4		A	1T19	0.71
HC4		X	1UWN	0.71
HC4		A,B,C,D,E,F, G,H	2O7F	0.71
HC4		A	1UGU	0.71
HC4		A	1TS8	0.71
HC4		A,B	1OTD	0.71
HC4		A	1OTE	0.71
HC4		A	1GSX	0.71
HC4		A	1TS7	0.71
HC4		A	2PYR	0.71
HC4		A	1S4S	0.71
HC4		A	1GSV	0.71
HC4		A	2I9V	0.71
HC4		A	2QWS	0.71
HC4		A	1XFN	0.71
HC4		A	1S4R	0.71
HC4		A	1T18	0.71
HC4		A	1OTA	0.71
HC4		A	1D7E	0.71
HC4		A	1S1Z	0.71
HC4		A,B,C	1MZU	0.71
HC4		A,B	1ODV	0.71
HC4		A,B	2J3J	0.71
HC4		A	2QJ5	0.71
HC4		A	1OTB	0.71
HC4		A	2D02	0.71
HC4		A	1OT9	0.71
HC4		A	1NWZ	0.71
HC4		A	1S1Y	0.71
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.77
SS1	1-PHENYLETHANOL	H	1UM5	0.87
BRB	PARA-BROMOBENZYL ALCOHOL	A,B	1HLD	0.73
PCR	P-CRESOL	A	1JHV	0.78
PCR	P-CRESOL	A	1JHU	0.78
PCR	P-CRESOL	A,B,C,D	1DIQ	0.78
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.72
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.72
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.72
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.72
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
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.78
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.72
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.78
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.78
R12	9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID	A	3CBS	0.71
AEF	4-(2-aminoethyl)phenol	A	3BRA	0.7
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E0Y	0.73
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E8G	0.73
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.76
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.83
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.77
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.77
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.77
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.76
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.79
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.79
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.79
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.79
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.79
LJ3	3,5-dibromobiphenyl-4-ol	A,B	3CN2	0.7