MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02999308

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
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
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.78
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.8
BFL		A,B	1Q4G	0.76
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.74
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.74
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.74
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
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.82
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.73
ETY	4-ethylphenol	A,B,C,D	2RA6	0.76
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.73
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.74
B28		A,B	2E9A	0.74
FPR	PROPYLBENZENE	C	1RHK	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.74
CRS	M-CRESOL	A,B,C,D	1EV3	0.73
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.73
CRS	M-CRESOL	A,B	1UZ9	0.73
CRS	M-CRESOL	A,B,C,D	1ZEH	0.73
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.73
CRS	M-CRESOL	A,C,D,E	7INS	0.73
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.73
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
BDB		A,B	1KE3	0.73
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.73
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.75
PAC	2-PHENYLACETIC ACID	B	1PNL	0.76
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.76
PAC	2-PHENYLACETIC ACID	B	1FXH	0.76
PAC	2-PHENYLACETIC ACID	A	2ISF	0.76
PAC	2-PHENYLACETIC ACID	A	2INE	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.73
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.71
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.71
341	(3,5-difluorophenyl)methanol	C	3EON	0.72
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.74
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.71
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.71
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.71
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.73
2LP	2-ALLYLPHENOL	A	1OV5	0.76
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
791	2-PHENYLMALONIC ACID	A	1O4P	0.74
B08		A,B	2E99	0.75
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.75
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.79
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.74
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.74
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.74
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.74
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.74
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
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.77
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.77
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
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.74
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.73
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.73
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1ZSR	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZJ7	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZLF	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEG	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1FQX	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1IIQ	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEF	0.71
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	0.76
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
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
N4B	N-BUTYLBENZENE	A	186L	0.74
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.76
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
BHQ	2,5-DITERT-BUTYLBENZENE-1,4-DIOL	A,B	2AGV	0.75
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.74
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.74
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.75
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZSF	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A	1JLD	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDA	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDB	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1Z8C	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZBG	0.71
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZPK	0.71
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
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.78
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.78
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.74
SS1	1-PHENYLETHANOL	H	1UM5	0.82
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.7
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.76
PCR	P-CRESOL	A	1JHV	0.74
PCR	P-CRESOL	A	1JHU	0.74
PCR	P-CRESOL	A,B,C,D	1DIQ	0.74
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.79
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.74
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.72
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.71
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.74
IBP	IBUPROFEN	A	3FKX	0.79
IBP	IBUPROFEN	A,B	2BXG	0.79
IBP	IBUPROFEN	A,B	1EQG	0.79
IBP	IBUPROFEN	A,B,C	2WD9	0.79
IBP	IBUPROFEN	A	2PWS	0.79
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.71
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.83
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.79
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.86
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.86
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.86
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.86
PEL	2-PHENYL-ETHANOL	A	1EYW	0.86
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.86