MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03129561

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Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
341	(3,5-difluorophenyl)methanol	C	3EON	0.74
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.72
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.74
B08		A,B	2E99	0.77
BFL		A,B	1Q4G	0.76
BPY	BIPHENYL-2,3-DIOL	A	1KMY	0.7
BPY	BIPHENYL-2,3-DIOL	B	1KW8	0.7
BPY	BIPHENYL-2,3-DIOL	A	2EI3	0.7
BPY	BIPHENYL-2,3-DIOL	A	1EIR	0.7
BPY	BIPHENYL-2,3-DIOL	B	1KW6	0.7
BPY	BIPHENYL-2,3-DIOL	B	1KWC	0.7
BPY	BIPHENYL-2,3-DIOL	B	1KW9	0.7
ETY	4-ethylphenol	A,B,C,D	2RA6	0.71
BDB		A,B	1KE3	0.74
2PM	N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE	A,B	2AOT	0.73
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.75
IBP	IBUPROFEN	A	3FKX	0.74
IBP	IBUPROFEN	A,B	2BXG	0.74
IBP	IBUPROFEN	A,B	1EQG	0.74
IBP	IBUPROFEN	A,B,C	2WD9	0.74
IBP	IBUPROFEN	A	2PWS	0.74
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.71
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.8
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.76
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	0.72
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.71
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.75
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.71
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.71
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.75
SS1	1-PHENYLETHANOL	H	1UM5	0.84
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.73
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.76
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
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.76
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.76
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.7
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.74
FLP	FLURBIPROFEN	A,B	1CQE	0.74
FLP	FLURBIPROFEN	A,B	1EQH	0.74
FLP	FLURBIPROFEN	A,B	2AYL	0.74
FLP	FLURBIPROFEN	A	1DVT	0.74
FLP	FLURBIPROFEN	A	1R9O	0.74
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.73
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.73
B28		A,B	2E9A	0.78
TA2	(2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL	A,B	2IFR	0.71
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.88
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.88
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.88
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.88
PEL	2-PHENYL-ETHANOL	A	1EYW	0.88
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.88
BRB	PARA-BROMOBENZYL ALCOHOL	A,B	1HLD	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.72
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.7
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
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.75
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.79
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.76
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.72
HCI	HYDROCINNAMIC ACID	A	1TOI	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.72
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.72
RMN	(R)-MANDELIC ACID	A	1MDL	0.71
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.71
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.73
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.7
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.81
1ZN	(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid	C,F,M,N	2IAE	0.71
2LP	2-ALLYLPHENOL	A	1OV5	0.73
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.88
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.75
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.7
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.76
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.76
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.76
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.76
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
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.84
PAC	2-PHENYLACETIC ACID	B	1PNL	0.73
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.73
PAC	2-PHENYLACETIC ACID	B	1FXH	0.73
PAC	2-PHENYLACETIC ACID	A	2ISF	0.73
PAC	2-PHENYLACETIC ACID	A	2INE	0.73
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.73
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.73
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.72
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.78
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.73
SMN	(S)-MANDELIC ACID	A	1MDL	0.71
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.74
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.76
TTL	TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN5	0.71
PHL	L-PHENYLALANINOL	A,B	1JOH	0.72
PHL	L-PHENYLALANINOL	I	3APR	0.72
PHL	L-PHENYLALANINOL	A	1DLZ	0.72
PHL	L-PHENYLALANINOL	A	1IH9	0.72
PHL	L-PHENYLALANINOL	A	1OB4	0.72
PHL	L-PHENYLALANINOL	I	2ER6	0.72
PHL	L-PHENYLALANINOL	A	1R9U	0.72
PHL	L-PHENYLALANINOL	A	1OB7	0.72
PHL	L-PHENYLALANINOL	A,B	1OB6	0.72
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.72
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
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	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.76
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	0.76
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	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.76
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.71
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.76
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
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.85
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
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.75
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.84
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.84
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.84
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.71
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.71
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.71
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.74
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.74
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.74
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.74
COR	2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE	A	9HVP	0.79
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.71
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.71
CTL	CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN3	0.71
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.76
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.72
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.78
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.79