MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02401375

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Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
DRQ	(9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL	A,B	2G5O	0.73
EED	(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL	A,B	2QGT	0.73
IBP	IBUPROFEN	A	3FKX	0.73
IBP	IBUPROFEN	A,B	2BXG	0.73
IBP	IBUPROFEN	A,B	1EQG	0.73
IBP	IBUPROFEN	A,B,C	2WD9	0.73
IBP	IBUPROFEN	A	2PWS	0.73
TTL	TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN5	0.77
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.71
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.83
BFL		A,B	1Q4G	0.76
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.7
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.7
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.7
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.7
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.71
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.75
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.75
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.75
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.73
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.7
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.73
DIN	1,6-DIHYDROXY NAPHTHALENE	A	1ZB6	0.72
I4B	ISOBUTYLBENZENE	A	184L	0.7
791	2-PHENYLMALONIC ACID	A	1O4P	0.7
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.74
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.76
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.72
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	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	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.74
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	0.74
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	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.73
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.76
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.76
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2I	0.73
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2J	0.73
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.74
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
ECS	2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE	A,B,C,D	2BW7	0.71
341	(3,5-difluorophenyl)methanol	C	3EON	0.72
OXE	ORTHO-XYLENE	A,B	3E0X	0.7
OXE	ORTHO-XYLENE	A	188L	0.7
SS1	1-PHENYLETHANOL	H	1UM5	0.84
CTL	CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN3	0.77
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.72
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.7
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.7
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.73
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1ZSR	0.73
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZJ7	0.73
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZLF	0.73
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEG	0.73
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1FQX	0.73
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1IIQ	0.73
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEF	0.73
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.76
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.77
ANF	ANTHRONE	H	2BJM	0.73
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.73
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.73
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.84
B28		A,B	2E9A	0.72
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.7
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.7
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.7
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.84
EST	ESTRADIOL	A,B	1GWR	0.75
EST	ESTRADIOL	A	1FDS	0.75
EST	ESTRADIOL	A,B,C	1G50	0.75
EST	ESTRADIOL	A,B,C,D,E,F	1ERE	0.75
EST	ESTRADIOL	A,B	1A52	0.75
EST	ESTRADIOL	A	1FDT	0.75
EST	ESTRADIOL	A	2OCF	0.75
EST	ESTRADIOL	A,B,C	1QKU	0.75
EST	ESTRADIOL	A,B,C,D,L	1E6W	0.75
EST	ESTRADIOL	A	1IOL	0.75
EST	ESTRADIOL	H	1JNN	0.75
EST	ESTRADIOL	B	1QKT	0.75
EST	ESTRADIOL	A	1FDW	0.75
EST	ESTRADIOL	A,B	1AQU	0.75
EST	ESTRADIOL	A	1LHU	0.75
EST	ESTRADIOL	A	1A27	0.75
EST	ESTRADIOL	L	1JGL	0.75
EST	ESTRADIOL	A,B,E,F	1PCG	0.75
EST	ESTRADIOL	A,B,C,D	1FDU	0.75
EST	ESTRADIOL	A	2J7X	0.75
EST	ESTRADIOL	A,B	2D06	0.75
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZSF	0.73
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A	1JLD	0.73
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDA	0.73
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDB	0.73
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1Z8C	0.73
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZBG	0.73
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZPK	0.73
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.82
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.73
FLP	FLURBIPROFEN	A,B	1CQE	0.73
FLP	FLURBIPROFEN	A,B	1EQH	0.73
FLP	FLURBIPROFEN	A,B	2AYL	0.73
FLP	FLURBIPROFEN	A	1DVT	0.73
FLP	FLURBIPROFEN	A	1R9O	0.73
L79	(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID	A,D	1RDT	0.71
B08		A,B	2E99	0.73
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.76
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.73
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.73
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.71
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.71
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.71
1NP	1-NAPHTHOL	X	2ZVQ	0.74
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.73
ESL	ESTRIOL	A	1X8V	0.73
ETY	4-ethylphenol	A,B,C,D	2RA6	0.7
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.73
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.73
E3O	(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL	A	2J7Y	0.73
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.84
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.82
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.85
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.85
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.85
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.85
PEL	2-PHENYL-ETHANOL	A	1EYW	0.85
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.85
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.74
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.75
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.76
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.76
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.76
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.76
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.77
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.73
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.73
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.74
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.76
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.76
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.76
COR	2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE	A	9HVP	0.71
2LP	2-ALLYLPHENOL	A	1OV5	0.7
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.76
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	0.76
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.7
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.84
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.84
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.84
BDB		A,B	1KE3	0.71
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.74
NPY	NAPHTHALENE	A,B	1O7G	0.71