MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02369619

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Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.75
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.75
HCI	HYDROCINNAMIC ACID	A	1TOI	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.75
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.75
HPH	PHENYLALANINDIOL	I	1E5O	0.72
HPH	PHENYLALANINDIOL	A,B	1ODX	0.72
HPH	PHENYLALANINDIOL	A,B	1MTB	0.72
HPH	PHENYLALANINDIOL	A,B	2FGV	0.72
HPH	PHENYLALANINDIOL	A	1ODW	0.72
HPH	PHENYLALANINDIOL	A,B	2FGU	0.72
HPH	PHENYLALANINDIOL	A,B	1HXB	0.72
341	(3,5-difluorophenyl)methanol	C	3EON	0.74
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	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
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.71
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.71
1LP	TRANYLCYPROMINE	A,B	1OJB	0.71
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.73
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.73
IBP	IBUPROFEN	A	3FKX	0.75
IBP	IBUPROFEN	A,B	2BXG	0.75
IBP	IBUPROFEN	A,B	1EQG	0.75
IBP	IBUPROFEN	A,B,C	2WD9	0.75
IBP	IBUPROFEN	A	2PWS	0.75
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.74
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.73
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.77
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.73
FPR	PROPYLBENZENE	C	1RHK	0.74
PXY	PARA-XYLENE	A	187L	0.72
PXY	PARA-XYLENE	A	225L	0.72
OXE	ORTHO-XYLENE	A,B	3E0X	0.74
OXE	ORTHO-XYLENE	A	188L	0.74
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.72
BDB		A,B	1KE3	0.73
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.73
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.76
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
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.82
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.82
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.82
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.7
I4B	ISOBUTYLBENZENE	A	184L	0.74
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
B28		A,B	2E9A	0.72
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.71
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.72
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	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.72
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	0.72
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	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.72
B08		A,B	2E99	0.73
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
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.74
MBN	TOLUENE	A,B	3D7O	0.71
MBN	TOLUENE	A,B	1R1X	0.71
MBN	TOLUENE	A,B	1JLX	0.71
MBN	TOLUENE	A,B,C,D	3D17	0.71
MBN	TOLUENE	A,B	2VRL	0.71
MBN	TOLUENE	A,I	2Z3E	0.71
MBN	TOLUENE	A,B	1YZI	0.71
MBN	TOLUENE	A,B	2DN1	0.71
MBN	TOLUENE	A,B	3EN1	0.71
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.75
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.76
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.76
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.74
N4B	N-BUTYLBENZENE	A	186L	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.71
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.75
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.75
ETY	4-ethylphenol	A,B,C,D	2RA6	0.7
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.76
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.73
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.73
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.73
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.84
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.79
PYL	PHENYLETHANE	C	1B07	0.74
PYL	PHENYLETHANE	A,B	2VRM	0.74
PYL	PHENYLETHANE	A	1NHB	0.74
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.74
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.71
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.79
BFL		A,B	1Q4G	0.72
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.74
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.74
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.71
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.74
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.74
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.74
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.73
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.73
SS1	1-PHENYLETHANOL	H	1UM5	0.82
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.7
PHL	L-PHENYLALANINOL	A,B	1JOH	0.75
PHL	L-PHENYLALANINOL	I	3APR	0.75
PHL	L-PHENYLALANINOL	A	1DLZ	0.75
PHL	L-PHENYLALANINOL	A	1IH9	0.75
PHL	L-PHENYLALANINOL	A	1OB4	0.75
PHL	L-PHENYLALANINOL	I	2ER6	0.75
PHL	L-PHENYLALANINOL	A	1R9U	0.75
PHL	L-PHENYLALANINOL	A	1OB7	0.75
PHL	L-PHENYLALANINOL	A,B	1OB6	0.75
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.75
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.74
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.85
COR	2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE	A	9HVP	0.71
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.75
2LP	2-ALLYLPHENOL	A	1OV5	0.7
BHQ	2,5-DITERT-BUTYLBENZENE-1,4-DIOL	A,B	2AGV	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.71
BRB	PARA-BROMOBENZYL ALCOHOL	A,B	1HLD	0.7
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.76
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.76
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.76
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.71
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.83
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.71
PAC	2-PHENYLACETIC ACID	B	1PNL	0.72
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.72
PAC	2-PHENYLACETIC ACID	B	1FXH	0.72
PAC	2-PHENYLACETIC ACID	A	2ISF	0.72
PAC	2-PHENYLACETIC ACID	A	2INE	0.72