MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02862274

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
GVQ	(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE	A	2UW8	0.74
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZSF	0.72
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A	1JLD	0.72
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDA	0.72
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDB	0.72
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1Z8C	0.72
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZBG	0.72
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZPK	0.72
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.92
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.92
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.92
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.92
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.92
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.92
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.92
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.92
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.73
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.73
ABN	BENZYLAMINE	D,H	2HXC	0.9
ABN	BENZYLAMINE	A,I	1A86	0.9
ABN	BENZYLAMINE	A	1UTN	0.9
ABN	BENZYLAMINE	A	1N6X	0.9
ABN	BENZYLAMINE	A	2BZA	0.9
ABN	BENZYLAMINE	A	2EUS	0.9
ABN	BENZYLAMINE	A	1N6Y	0.9
ABN	BENZYLAMINE	A	1UTJ	0.9
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.77
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.86
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.86
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.75
ZYX	4-(2-AMINOETHYL)BENZENESULFONAMIDE	A	2NNG	0.74
APE	(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID	E,I	1SCN	0.71
DEN	INDENE	A	183L	0.75
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.79
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.81
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.73
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.77
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	A	1OS0	0.8
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	E,I	4TMN	0.8
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	S	1CGH	0.8
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.73
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.75
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.75
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.75
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1ZSR	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZJ7	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZLF	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEG	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1FQX	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1IIQ	0.72
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEF	0.72
PMI	(2-AMINO-2,3-DIHYDRO-1H-INDEN-2- YL)PHOSPHONIC ACID	A,B,C,D,E,F, G,H	2O7E	0.71
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.94
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.94
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3B2Q	0.76
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4T	0.76
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4R	0.76
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3EIU	0.76
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.94
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.94
2BF	ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID	A,B,C,D	1ND5	0.7
PYL	PHENYLETHANE	C	1B07	0.81
PYL	PHENYLETHANE	A,B	2VRM	0.81
PYL	PHENYLETHANE	A	1NHB	0.81
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.76
NPY	NAPHTHALENE	A,B	1O7G	0.72
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A	2AI7	0.73
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A,B,C	2AI8	0.73
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.88
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.88
BDB		A,B	1KE3	0.72
IBZ	2-IODOBENZYLTHIO GROUP	A,B	1CEL	0.7
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.71
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.82
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.77
N4B	N-BUTYLBENZENE	A	186L	0.81
CPU		A,B	1CR6	0.72
PRY	2-PROPYL-ANILINE	A	1OWY	0.74
BEN	BENZAMIDINE	A	2TIO	0.74
BEN	BENZAMIDINE	A	1J15	0.74
BEN	BENZAMIDINE	A,B	3BEU	0.74
BEN	BENZAMIDINE	T	1V2U	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3CF8	0.74
BEN	BENZAMIDINE	A	1S0R	0.74
BEN	BENZAMIDINE	A,B	1V16	0.74
BEN	BENZAMIDINE	A	1CC7	0.74
BEN	BENZAMIDINE	A	3BG8	0.74
BEN	BENZAMIDINE	A	1CC8	0.74
BEN	BENZAMIDINE	A	3PTB	0.74
BEN	BENZAMIDINE	A,B	1TRM	0.74
BEN	BENZAMIDINE	A	1ZHR	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	1NKZ	0.74
BEN	BENZAMIDINE	A	2BLV	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLP	0.74
BEN	BENZAMIDINE	H,I	3D49	0.74
BEN	BENZAMIDINE	H,L,T	2AER	0.74
BEN	BENZAMIDINE	A	1J14	0.74
BEN	BENZAMIDINE	A	1NSA	0.74
BEN	BENZAMIDINE	A	2AYW	0.74
BEN	BENZAMIDINE	A	1BRA	0.74
BEN	BENZAMIDINE	A,B,C,D	1A0J	0.74
BEN	BENZAMIDINE	B,C,D	2AST	0.74
BEN	BENZAMIDINE	A,B	2CKR	0.74
BEN	BENZAMIDINE	A	1LPU	0.74
BEN	BENZAMIDINE	A	1ZHM	0.74
BEN	BENZAMIDINE	A	1J8A	0.74
BEN	BENZAMIDINE	A,B	3BCX	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3CF9	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3D04	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLL	0.74
BEN	BENZAMIDINE	A	1AND	0.74
BEN	BENZAMIDINE	A	2TBS	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP2	0.74
BEN	BENZAMIDINE	T	1V2M	0.74
BEN	BENZAMIDINE	A	2EEK	0.74
BEN	BENZAMIDINE	H,I	2ZI2	0.74
BEN	BENZAMIDINE	T	1V2J	0.74
BEN	BENZAMIDINE	H	1KLI	0.74
BEN	BENZAMIDINE	A	1CE5	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3B7J	0.74
BEN	BENZAMIDINE	B,Y	2PKA	0.74
BEN	BENZAMIDINE	A	2VJ0	0.74
BEN	BENZAMIDINE	A	3B3J	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DOY	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP3	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLM	0.74
BEN	BENZAMIDINE	A	1ANB	0.74
BEN	BENZAMIDINE	A	1LO6	0.74
BEN	BENZAMIDINE	A	1LR4	0.74
BEN	BENZAMIDINE	A,B	1V1M	0.74
BEN	BENZAMIDINE	A	1ZHP	0.74
BEN	BENZAMIDINE	A	2J9N	0.74
BEN	BENZAMIDINE	A	2BMV	0.74
BEN	BENZAMIDINE	A,B	2CKS	0.74
BEN	BENZAMIDINE	A	2BLW	0.74
BEN	BENZAMIDINE	A	1J16	0.74
BEN	BENZAMIDINE	A,B	1V11	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP0	0.74
BEN	BENZAMIDINE	B	1RTF	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP1	0.74
BEN	BENZAMIDINE	A,B,C,D	2E58	0.74
BEN	BENZAMIDINE	A	2TRM	0.74
BEN	BENZAMIDINE	T	1V2V	0.74
BEN	BENZAMIDINE	A	1MBQ	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DOZ	0.74
BEN	BENZAMIDINE	A	2O8U	0.74
BEN	BENZAMIDINE	H	1DWB	0.74
BEN	BENZAMIDINE	B,C	2ASS	0.74
BEN	BENZAMIDINE	A	1ANE	0.74
BEN	BENZAMIDINE	H,I	2ZIQ	0.74
BEN	BENZAMIDINE	A	1BIT	0.74
BEN	BENZAMIDINE	A	2AIQ	0.74
BEN	BENZAMIDINE	A	2OQ5	0.74
BEN	BENZAMIDINE	A	1ANC	0.74
BEN	BENZAMIDINE	H	1JBU	0.74
BEN	BENZAMIDINE	A,B	2BPQ	0.74
BEN	BENZAMIDINE	A,B,C,D	2GNN	0.74
BEN	BENZAMIDINE	T	1V2S	0.74
BEN	BENZAMIDINE	A	1H4W	0.74
BEN	BENZAMIDINE	A	1OSS	0.74
BEN	BENZAMIDINE	A	1W80	0.74
BEN	BENZAMIDINE	A	1BTY	0.74
BEN	BENZAMIDINE	H,I	2ZFQ	0.74
BEN	BENZAMIDINE	A	1EAX	0.74
BEN	BENZAMIDINE	A	1L2E	0.74
BEN	BENZAMIDINE	A	1WRI	0.74
BEN	BENZAMIDINE	A,B	3BB8	0.74
BEN	BENZAMIDINE	A	2OXS	0.74
BEN	BENZAMIDINE	A	1DPO	0.74
BEN	BENZAMIDINE	T	1V2L	0.74
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.73
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.73
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.73
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.73
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.73
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A	1QWC	0.72
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1FOI	0.72
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1QW5	0.72
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.84
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.77
I4B	ISOBUTYLBENZENE	A	184L	0.79
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.75
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.75
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.75
C2A	1-(3-CHLOROPHENYL)METHANAMINE	B,I	2C8Z	0.78
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.79
271	N-methyl-1-phenylmethanamine	X	2RBT	0.84
MBN	TOLUENE	A,B	3D7O	0.81
MBN	TOLUENE	A,B	1R1X	0.81
MBN	TOLUENE	A,B	1JLX	0.81
MBN	TOLUENE	A,B,C,D	3D17	0.81
MBN	TOLUENE	A,B	2VRL	0.81
MBN	TOLUENE	A,I	2Z3E	0.81
MBN	TOLUENE	A,B	1YZI	0.81
MBN	TOLUENE	A,B	2DN1	0.81
MBN	TOLUENE	A,B	3EN1	0.81
PXY	PARA-XYLENE	A	187L	0.81
PXY	PARA-XYLENE	A	225L	0.81
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.87
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.87
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.73
PHA	PHENYLALANINAL	A,B	1OB2	0.74
PHA	PHENYLALANINAL	V,Y,Z	2WDG	0.74
PHA	PHENYLALANINAL	V,Y,Z	2WDK	0.74
PHA	PHENYLALANINAL	1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z	1M90	0.74
PHA	PHENYLALANINAL	P	3SGA	0.74
PHA	PHENYLALANINAL	A,B,C,D,E,F	1OB5	0.74
PHA	PHENYLALANINAL	V,Y,Z	2WDM	0.74
PHA	PHENYLALANINAL	0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z	1KQS	0.74
PHA	PHENYLALANINAL	A,B	1KDV	0.74
PHA	PHENYLALANINAL	1,2,4,5,6,A, B,C,D,E,J,K, L,M,N,O,P,R, S,T,U,V,Z	1Q86	0.74
PHA	PHENYLALANINAL	A,B	1KDY	0.74
PHA	PHENYLALANINAL	V,Y,Z	3FIC	0.74
PHA	PHENYLALANINAL	V,Y,Z	2WDH	0.74
PHA	PHENYLALANINAL	A,B	1KE2	0.74
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.88
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.88
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.88
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.88
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.82
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.87
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.87
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.73
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.73
HPH	PHENYLALANINDIOL	I	1E5O	0.71
HPH	PHENYLALANINDIOL	A,B	1ODX	0.71
HPH	PHENYLALANINDIOL	A,B	1MTB	0.71
HPH	PHENYLALANINDIOL	A,B	2FGV	0.71
HPH	PHENYLALANINDIOL	A	1ODW	0.71
HPH	PHENYLALANINDIOL	A,B	2FGU	0.71
HPH	PHENYLALANINDIOL	A,B	1HXB	0.71
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.76
BAC	N-(4-IODO-BENZYL)-FORMAMIDE	A,B,C,D	2WPO	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.88
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.88
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.88
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.88
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.88
FPR	PROPYLBENZENE	C	1RHK	0.81
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.81
BZZ	BENZYLHYDRAZINE	A,B	2E2V	0.81
NFA	PHENYLALANINE AMIDE	A,B,C,D	2BTJ	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D,E,F	2EFX	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D	2VVJ	0.74
NFA	PHENYLALANINE AMIDE	A	2A4O	0.74
NFA	PHENYLALANINE AMIDE	A,B	1XAE	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D	2OGR	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D	1QA7	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D	2GW4	0.74
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.71
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.71
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.71
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.71
BAM	BENZAMIDINE	U	1F5K	0.74
BAM	BENZAMIDINE	X	2BY8	0.74
BAM	BENZAMIDINE	B	2PSM	0.74
BAM	BENZAMIDINE	X	2BY9	0.74
BAM	BENZAMIDINE	A	1C1N	0.74
BAM	BENZAMIDINE	X	2BY6	0.74
BAM	BENZAMIDINE	H,I	1C5O	0.74
BAM	BENZAMIDINE	A	1XX4	0.74
BAM	BENZAMIDINE	A	1HJ8	0.74
BAM	BENZAMIDINE	A	1C5P	0.74
BAM	BENZAMIDINE	B	1C5Z	0.74
BAM	BENZAMIDINE	A,B	1ZVW	0.74
BAM	BENZAMIDINE	A	2ANW	0.74
BAM	BENZAMIDINE	A	2ANY	0.74
BAM	BENZAMIDINE	X	2BYA	0.74
BAM	BENZAMIDINE	A	1TIO	0.74
BAM	BENZAMIDINE	X	2BY5	0.74
BAM	BENZAMIDINE	X	2BY7	0.74
C2B	1-(4-CHLOROPHENYL)METHANAMINE	D,H	2Q7Q	0.78
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.74
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine	A	2JJG	0.7
DPK	DEPRENYL	A,B	2BYB	0.77
2HT	3-methylbenzonitrile	A,B	3F88	0.76
34A	3,4-DIMETHYLANILINE	A	1L4K	0.71
OXE	ORTHO-XYLENE	A,B	3E0X	0.79
OXE	ORTHO-XYLENE	A	188L	0.79
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2OUA	0.74
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B,C,D	2AJC	0.74
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	3PRO	0.74
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2PFE	0.74
MFG	(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN- 1-IMINE	A,B	2VZ2	0.81
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N, O,P	1GUL	0.76
PHL	L-PHENYLALANINOL	A,B	1JOH	0.74
PHL	L-PHENYLALANINOL	I	3APR	0.74
PHL	L-PHENYLALANINOL	A	1DLZ	0.74
PHL	L-PHENYLALANINOL	A	1IH9	0.74
PHL	L-PHENYLALANINOL	A	1OB4	0.74
PHL	L-PHENYLALANINOL	I	2ER6	0.74
PHL	L-PHENYLALANINOL	A	1R9U	0.74
PHL	L-PHENYLALANINOL	A	1OB7	0.74
PHL	L-PHENYLALANINOL	A,B	1OB6	0.74
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.74